The molecule <smiles>CC(=O)N[C@@H](CC[NH3+])C([O-])=O</smiles> <smiles>CC(=O)N[C@@H](CC[NH3+])C([O-])=O</smiles> is an amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of (2S)-2-acetamido-4-aminobutanoic acid; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .


The molecule <smiles>N[C@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> <smiles>N[C@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> is A 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid that is the (S)-enantiomer of tosufloxacin. It is also related to or classified as 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid  .


The molecule <smiles>[NH3+][C@@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> <smiles>[NH3+][C@@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> is A 1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium having R configuration. It is a conjugate acid of (R)-tosufloxacin . It is also related to or classified as 1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])([O-])=O</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])([O-])=O</smiles> is A 2-acyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 2-oleoyl-sn-glycero-3-phosphate; major species at pH 7.3. It is also related to or classified as 2-acyl-sn-glycero-3-phosphate(2-)  . It is also related to or classified as oleoyl-sn-glycero-3-phosphate(2-)  .


The molecule <smiles>[NH3+][C@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> <smiles>[NH3+][C@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> is A 1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium having S configuration. It is a conjugate acid of (S)-tosufloxacin . It is also related to or classified as 1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium  .


The molecule <smiles>N[C@@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> <smiles>N[C@@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> is A 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid that is the (R)-enantiomer of tosufloxacin. It is also related to or classified as 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as icosanoyl (arachidoyl) and arachidonoyl respectively. Its functional parent is arachidonic acid . Its functional parent is icosanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as diacylglycerol 40:4  .


The molecule <smiles>COc1cc2C[C@@H]3N(C)[C@@H](Cc4cc(OC)c(OC)cc34)c2cc1OC</smiles> <smiles>COc1cc2C[C@@H]3N(C)[C@@H](Cc4cc(OC)c(OC)cc34)c2cc1OC</smiles> is (-)-argemonine. It has the role of plant metabolite . It is also related to or classified as 2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene  .


The molecule <smiles>[NH3+]C1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> <smiles>[NH3+]C1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> is an organic cation obtained by protonation of the primary amino group of 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid. It is a conjugate acid of 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>SC(=S)NCCNC(S)=S</smiles> <smiles>SC(=S)NCCNC(S)=S</smiles> is A dithiocarbamic acid resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine. Its functional parent is ethylenediamine . It is a conjugate acid of ethylenebis(dithiocarbamate) . It is also related to or classified as dithiocarbamic acids  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> is A 2-acyl-sn-glycero-3-phosphoserine in which the acyl group is specified as oleoyl. Its functional parent is oleic acid . It is a conjugate acid of 2-oleoyl-sn-glycero-3-phosphoserine(1-) . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoserine  .


The molecule <smiles>CCCCCCCCCCCC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCCCCCCCCC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-2-methylpentadec-2-enoic acid. It is a conjugate acid of (E)-2-methylpentadec-2-enoyl-CoA(4-) .  It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as trans-2-enoyl-CoA  . It is also related to or classified as monounsaturated fatty acyl-CoA , branched-chain fatty acyl-CoA .


The molecule <smiles>C[C@@H](O)[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@H]1C</smiles> <smiles>C[C@@H](O)[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@H]1C</smiles> is A macrolide antibiotic that is an intermediate in the biosynthesis of pikromycin by Streptomyces venezuelae. It has the role of bacterial metabolite . Its functional parent is narbonolide .  It is also related to or classified as enone  .  It is also related to or classified as polyketide  . It is also related to or classified as macrolide antibiotic , monosaccharide derivative .


The molecule <smiles>C[C@@H](O)[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@]1(C)O</smiles> <smiles>C[C@@H](O)[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@]1(C)O</smiles> is A twelve-membered macrolide antibiotic that is biosynthesised by Streptomyces venezuelae. It has the role of bacterial metabolite .  It is also related to or classified as enone  . It is also related to or classified as macrolide antibiotic , monosaccharide derivative .


The molecule <smiles>C[C@@H](O)[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@]1(C)O</smiles> <smiles>C[C@@H](O)[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@]1(C)O</smiles> is A macrolide antibiotic that is biosynthesised by Streptomyces venezuelae. It has the role of bacterial metabolite . Its functional parent is narbonolide .  It is also related to or classified as enone  . It is also related to or classified as macrolide antibiotic , monosaccharide derivative .


The molecule <smiles>CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)C(O)=O</smiles> <smiles>CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)C(O)=O</smiles> is A (3R)-3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 3-carboxy group of (3R)-3-carboxy-3-hydroxypropanoic acid. Its functional parent is (R)-malic acid . It is a conjugate acid of (3R)-3-carboxy-3-hydroxypropanoyl-CoA(5-) . It is also related to or classified as (R)-3-hydroxyacyl-CoA  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCOCC(=O)COP(O)(O)=O</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCCOCC(=O)COP(O)(O)=O</smiles> is A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as oleyl. It is a conjugate acid of 1-oleylglycerone 3-phosphate(2-) . It is also related to or classified as 1-alkylglycerone 3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O</smiles> is A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as tetradecyl. It is a conjugate acid of 1-tetradecylglycerone 3-phosphate(2-) . It is also related to or classified as 1-alkylglycerone 3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O</smiles> is A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as heptadecyl. It is a conjugate acid of 1-heptadecylglycerone 3-phosphate(2-) . It is also related to or classified as 1-alkylglycerone 3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O</smiles> is A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as octadecyl. It is a conjugate acid of 1-octadecylglycerone 3-phosphate(2-) . It is also related to or classified as 1-alkylglycerone 3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCOCC(=O)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCOCC(=O)COP(O)(O)=O</smiles> is A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as dodecyl. It is a conjugate acid of 1-dodecylglycerone 3-phosphate(2-) . It is also related to or classified as 1-alkylglycerone 3-phosphate  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCCOCC(=O)COP(O)(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCCOCC(=O)COP(O)(O)=O</smiles> is A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as (9Z,12Z,15Z)-octadecatrienyl. It is a conjugate acid of 1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate(2-) . It is also related to or classified as 1-alkylglycerone 3-phosphate  .


The molecule <smiles>CCCCCCCC\C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCCCCC\C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-9-octadecenoic acid. It is a conjugate acid of trans-9-octadecenoyl-CoA(4-) . It is also related to or classified as octadecenoyl-CoA  .


The molecule <smiles>CCCCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O</smiles> is A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as palmityl (hexadecyl). It is a conjugate acid of 1-palmitylglycerone 3-phosphate(2-) . It is also related to or classified as 1-alkylglycerone 3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O</smiles> is A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as pentadecyl. It is a conjugate acid of 1-pentadecylglycerone 3-phosphate(2-) . It is also related to or classified as 1-alkylglycerone 3-phosphate  .


The molecule <smiles>CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of undecanoic acid. Its functional parent is undecanoic acid . It is a conjugate acid of undecanoyl-CoA(4-) . It is also related to or classified as saturated fatty acyl-CoA  . It is also related to or classified as medium-chain fatty acyl-CoA .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(=O)COP(O)(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(=O)COP(O)(O)=O</smiles> is A 1-acylglycerone 3-phosphate in which the acyl group is specified as linoleoyl. Its functional parent is linoleic acid . It is a conjugate acid of 1-linoleoylglycerone 3-phosphate(2-) . It is also related to or classified as 1-acylglycerone 3-phosphate  .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCCOCC(=O)COP(O)(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCCOCC(=O)COP(O)(O)=O</smiles> is A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as (9Z,12Z)-octadecadienyl. It is a conjugate acid of 1-(9Z,12Z)-octadecadienylglycerone 3-phosphate(2-) . It is also related to or classified as 1-alkylglycerone 3-phosphate  .


The molecule <smiles>CCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-2-pentadecenoic acid. It is a conjugate acid of trans-2-pentadecenoyl-CoA(4-) .  It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as trans-2-enoyl-CoA  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  . It is also related to or classified as monounsaturated fatty acyl-CoA .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an octadecatrienoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,9Z,12Z)-octadecatrienoic acid. It is a conjugate acid of (2E,9Z,12Z)-octadecatrienoyl-CoA(4-) . It is also related to or classified as octadecatrienoyl-CoA  . It is also related to or classified as trans-2-enoyl-CoA  .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(=O)COP(O)(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(=O)COP(O)(O)=O</smiles> is A 1-acylglycerone 3-phosphate in which the acyl group is specified as arachidonoyl. Its functional parent is arachidonic acid . It is a conjugate acid of 1-arachidonoylglycerone 3-phosphate(2-) . It is also related to or classified as 1-acylglycerone 3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-heptadecenoic acid. It is a conjugate acid of trans-2-heptadecenoyl-CoA(4-) .  It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as trans-2-enoyl-CoA  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  . It is also related to or classified as monounsaturated fatty acyl-CoA .


The molecule <smiles>CCCCCCCC\C=C/CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCCCCC\C=C/CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is A polyunsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,9Z)-octadecadienoic acid. It is a conjugate acid of (2E,9Z)-octadecadienoyl-CoA(4-) . It is also related to or classified as octadecadienoyl-CoA  . It is also related to or classified as trans-2-enoyl-CoA  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  .


The molecule <smiles>CCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is A medium-chain unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-undecenoic acid. Its functional parent is trans-undec-2-enoic acid . It is a conjugate acid of trans-2-undecenoyl-CoA(4-) .  It is also related to or classified as trans-2-enoyl-CoA  . It is also related to or classified as monounsaturated fatty acyl-CoA , medium-chain fatty acyl-CoA .


The molecule <smiles>N[C@H]1[C@@H]2CN(C[C@H]12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> <smiles>N[C@H]1[C@@H]2CN(C[C@H]12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> is A 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and  6-amino-3-azabicyclo[3.1.0]hex-3-yl substituents at positions 1, 6 and 7 respectively. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure. It has the role of antimicrobial agent . It has the role of antibacterial drug . It has the role of hepatotoxic agent . It has the role of topoisomerase IV inhibitor . It has the role of DNA synthesis inhibitor .    It is also related to or classified as difluorobenzene  . It is also related to or classified as monocarboxylic acid , amino acid , azabicycloalkane , primary amino compound , tertiary amino compound , 1,8-naphthyridine derivative , quinolone antibiotic , fluoroquinolone antibiotic .


The molecule <smiles>Cc1ccc(cc1)S(O)(=O)=O.N[C@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> <smiles>Cc1ccc(cc1)S(O)(=O)=O.N[C@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> is an organosulfonate salt obtained by combining equimolar amounts of (S)-tosufloxacin and 4-toluenesulfonic acid. It is also related to or classified as organosulfonate salt .


The molecule <smiles>Cc1ccc(cc1)S(O)(=O)=O.N[C@@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> <smiles>Cc1ccc(cc1)S(O)(=O)=O.N[C@@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> is an organosulfonate salt obtained by combining equimolar amounts of (R)-tosufloxacin and 4-toluenesulfonic acid.  It is also related to or classified as (R)-tosufloxacin(1+)  . It is also related to or classified as organosulfonate salt .


The molecule <smiles>N\C(C([O-])=O)=C(\C=C/C=O)C([O-])=O</smiles> <smiles>N\C(C([O-])=O)=C(\C=C/C=O)C([O-])=O</smiles> is the cis,cis-isomer of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate. It has the role of human metabolite . It is also related to or classified as 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate  .


The molecule <smiles>CCCCCCCC\C=C\CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCCCCC\C=C\CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an octadecadienoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,9E)-octadecadienoic acid. It is a conjugate acid of (2E,9E)-octadecadienoyl-CoA(4-) . It is also related to or classified as octadecadienoyl-CoA  . It is also related to or classified as trans-2-enoyl-CoA  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  .


The molecule <smiles>[NH3+]\C(C([O-])=O)=C(\C=C/C=O)/C([O-])=O</smiles> <smiles>[NH3+]\C(C([O-])=O)=C(\C=C/C=O)/C([O-])=O</smiles> is A dicarboxylic acid anion that is the major structure at pH 7.3 of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid. It has the role of human metabolite . It is a conjugate acid of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate . It is also related to or classified as alpha-amino-acid anion , dicarboxylic acid anion .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is A  2,3-trans-enoyl -CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosaheptaenoic acid. It is a conjugate acid of (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosaheptaenoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as (2E,4Z)-dienoyl-CoA  .


The molecule <smiles>C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[NH+]3CC[C@@H](OC1=O)[C@@H]23</smiles> <smiles>C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[NH+]3CC[C@@H](OC1=O)[C@@H]23</smiles> is an organic cation obtained by protonation of the tertiary amino group of senecionine; major structure at pH 7.3. It is a conjugate acid of senecionine . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC</smiles> is A 1,3-diglyceride obtained by the formal acylation of positions 1 and 3 of glycerol by hexadecanoic (palmitic) acid. Its functional parent is hexadecanoic acid . It is also related to or classified as dihexadecanoylglycerol  . It is also related to or classified as 1,3-diglyceride  .


The molecule <smiles>CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12</smiles> <smiles>CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12</smiles> is A tertiary amine that is N-methyl-1-naphthalenemethylamine in which the amino hydrogen is replaced by a 3-(tertbutylethynyl)allyl group. An antifungal agent administered orally (generally as the hydrochloride salt) for the treatment of skin and nail infections. It has the role of P450 inhibitor . It has the role of EC 1.14.13.132 (squalene monooxygenase) inhibitor . It has the role of sterol biosynthesis inhibitor .  It is also related to or classified as tertiary amine  .   It is also related to or classified as acetylenic compound  . It is also related to or classified as naphthalenes , enyne , allylamine antifungal drug .


The molecule <smiles>CCCCCC\C=C/CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCCC\C=C/CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is A polyunsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,9Z)-hexadecadienoic acid. It is a conjugate acid of (2E,9Z)-hexadecadienoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as trans-2-enoyl-CoA  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A  triacyl-sn-glycerol  in which the acyl groups at positions 1, 2 and 3 are specifed as palmitoyl, oleoyl and stearoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is oleic acid . Its functional parent is octadecanoic acid . It is also related to or classified as triacyl-sn-glycerol  .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H](O)CO)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H](O)CO)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A branched amino pentasaccharide comprising an N-acetyl-D-glucosamine residue, two D-glucose residues and two L-glycero-D-manno-heptose residues, with linkages as shown. It is also related to or classified as amino pentasaccharide .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC</smiles> is A 1,3-diglyceride in which the 1- and 3-acyl groups are specified as palmitoyl and stearoyl respectively (the R-enantiomer). Its functional parent is hexadecanoic acid . Its functional parent is octadecanoic acid . It is also related to or classified as 1,3-diglyceride  .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@H](CO)OP(O)(=O)OCCN)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@H](CO)OP(O)(=O)OCCN)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A branched amino pentasaccharide and oligosaccharide phosphate comprising an N-acetyl-D-glucosamine residue, two D-glucose residues and two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-6), with linkages as shown. It is also related to or classified as oligosaccharide phosphate , amino pentasaccharide .


The molecule <smiles>C[NH+](C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12</smiles> <smiles>C[NH+](C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12</smiles> is an organic cation that is the conjugate acid of terbinafine, obtained by protonation of the amino group; major species at pH 7.3. It is a conjugate acid of terbinafine . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H](O)CO)[C@@H](O)[C@@H]1OP(O)(=O)OCCN</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H](O)CO)[C@@H](O)[C@@H]1OP(O)(=O)OCCN</smiles> is A branched amino tetrasaccharide and oligosaccharide phosphate comprising an N-acetyl-D-glucosamine residue, a D-glucose residue and two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-3), with linkages as shown. It is also related to or classified as oligosaccharide phosphate , amino tetrasaccharide .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OC</smiles> is A lipopeptide consisting of the methyl ester of a D-Phe-N-Me-L-Val-L-Ile-L-Phe-L-Ala hexapeptide, to the nitrogen of the D-phenylalanine residue of which is linked a C20 (icosanoyl) fatty-acyl chain. It is a major cell wall lipopeptide of Mycobacterium avium ssp. paratuberculosis (MAP), the causative agent of Johne's disease in cattle and other ruminants. It has the role of antigen . It is also related to or classified as methyl ester  . It is also related to or classified as lipopeptide .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CO</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CO</smiles> is A branched amino tetrasaccharide comprising an N-acetyl-D-glucosamine residue, a D-glucose residue and two L-glycero-D-manno-heptose residues, with linkages as shown. It is also related to or classified as amino tetrasaccharide .


The molecule <smiles>Cl.CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12</smiles> <smiles>Cl.CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12</smiles> is A hydrochloride obtained by reaction of terbinafine with one molar equivalent of hydrogen chloride. It has the role of P450 inhibitor . It has the role of EC 1.14.13.132 (squalene monooxygenase) inhibitor . It is also related to or classified as hydrochloride , allylamine antifungal drug .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP(O)(O)=O</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP(O)(O)=O</smiles> is A 2-acyl-sn-glycerol 3-phosphate in which the phosphatidyl acyl group is specified as oleoyl. Its functional parent is oleic acid . It is a conjugate acid of 2-oleoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 2-acyl-sn-glycero-3-phosphate  .


The molecule <smiles>CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C([O-])=O)C(=O)OCC</smiles> <smiles>CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C([O-])=O)C(=O)OCC</smiles> is A monocarboxylic acid anion that is the conjugate base of perindopril, obtained by deprotonation of the hydroxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCC)OC(C)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and stearoyl. Its functional parent is octadecanoic acid . Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol . It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol  .


The molecule <smiles>N[C@@H](CCCNC(N)=N)C(O)=O.CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(=O)OCC</smiles> <smiles>N[C@@H](CCCNC(N)=N)C(O)=O.CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(=O)OCC</smiles> is an organoammonium salt obtained by combining perindopril with one molar equivalent of L-arginine. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It has the role of antihypertensive agent . It is also related to or classified as organoammonium salt .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](CO)OP(O)(=O)OCCN</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](CO)OP(O)(=O)OCCN</smiles> is A branched amino tetrasaccharide and oligosaccharide phosphate comprising an N-acetyl-D-glucosamine residue, a D-glucose residue and two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-6), with linkages as shown. It is also related to or classified as oligosaccharide phosphate , amino tetrasaccharide .


The molecule <smiles>Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2[O-])cc1</smiles> <smiles>Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2[O-])cc1</smiles> is A phenolate anion that is the conjugate base of 2',4,4',6'-tetrahydroxychalcone, obtained by deprotonation of the phenolic hydroxy group at position 2'; major species at pH 7.3. It has the role of metabolite . It has the role of anti-allergic agent . It has the role of anti-inflammatory agent . It is also related to or classified as 2-acyl-4-prenylphloroglucinol(1-)  . It is also related to or classified as 2',4,4',6'-tetrahydroxychalcone  . It is also related to or classified as phenolate anion .


The molecule <smiles>CC(C)(Oc1ccc(cc1)C1CCCc2ccccc12)C(O)=O</smiles> <smiles>CC(C)(Oc1ccc(cc1)C1CCCc2ccccc12)C(O)=O</smiles> is A monocarboxylic acid that is 2-hydroxy-2-methylpropanoic acid in which ther tertiary hydroxy group has been converted into the corresponding p-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl ether. It is also related to or classified as monocarboxylic acid , aromatic ether .


The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCC)OC(C)=O</smiles> <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and capryl. Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol . It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol  . It is also related to or classified as decanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(C)=O</smiles> <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and palmitoyl. Its functional parent is hexadecanoic acid . Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol . It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC)OC(C)=O</smiles> <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and capryloyl. Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol . It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol  . It is also related to or classified as octanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A triacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specifed as stearoyl. Its functional parent is oleic acid . Its functional parent is octadecanoic acid . It is also related to or classified as triacyl-sn-glycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCC)OC(C)=O</smiles> <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and myristoyl. Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol . It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCC)OC(C)=O</smiles> <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and lauroyl. Its functional parent is hexadecanoic acid . Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol . It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol  . It is also related to or classified as dodecanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A triacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specifed as myristoyl. Its functional parent is oleic acid . It is also related to or classified as triacyl-sn-glycerol  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>Clc1ccc2c(c1)nnc1nnnn21</smiles> <smiles>Clc1ccc2c(c1)nnc1nnnn21</smiles> is an organic heterotricyclic compound that is tetrazolo[5,1-c][1,2,4]benzotriazine substituted at position 7 by a chloro group. An antifungal and chemosensitising agent that induces oxidative stress in yeast and filamentous fungi and enhances the cytotoxic activity of 5-fluorocytosine and azole antimycotics. It has the role of antifungal agent .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterotricyclic compound .


The molecule <smiles>CCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A triacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specifed as lauroyl. Its functional parent is oleic acid . Its functional parent is dodecanoic acid . It is also related to or classified as triacyl-sn-glycerol  . It is also related to or classified as dodecanoate ester  .


The molecule <smiles>CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3</smiles> <smiles>CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3</smiles> is A 3beta-sterol consisting of an ergostane skeleton with double bonds at positions 8(9) and 22. It is also related to or classified as 3beta-sterol  . It is also related to or classified as ergostanoid .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@H](CO)OP(O)(=O)OCCN)[C@@H](O)[C@@H]1OP(O)(=O)OCCN</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@H](CO)OP(O)(=O)OCCN)[C@@H](O)[C@@H]1OP(O)(=O)OCCN</smiles> is A branched amino tetrasaccharide and oligosaccharide phosphate comprising an N-acetyl-D-glucosamine residue, a D-glucose residue and two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-3 and O-6), with linkages as shown. It is also related to or classified as oligosaccharide phosphate , amino tetrasaccharide .


The molecule <smiles>CCCC(S)CCO</smiles> <smiles>CCCC(S)CCO</smiles> is an alkanethiol that is hexane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively. It has the role of flavouring agent . It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as alkanethiol  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A triacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specifed as linoleoyl. It has the role of mouse metabolite . Its functional parent is oleic acid . Its functional parent is linoleic acid . It is also related to or classified as 1,2-diacyl-3-linoleoylglycerol  . It is also related to or classified as triacyl-sn-glycerol  . It is also related to or classified as linoleoyl containing 1,2,3-triacyl-sn-glycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(C)=O</smiles> <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and linoleoyl. Its functional parent is linoleic acid . Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol . It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCCO[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCCCCO[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A 1-acyl-2-alkyl-sn-glycero-3-phosphocholine in which the acyl and alkyl groups at positions 1 and 2 are specified respectively as arachidonoyl and palmityl. It is also related to or classified as arachidonic acid  . It is also related to or classified as 1-acyl-2-alkyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>CC[C@H](CO)\C=C(\C)[C@H]1C[C@@H](C[C@@H](O)C(C)(C)[C@]2(O)O[C@@H](C[C@H](OC)[C@@H]2O)C[C@H](OC)[C@@H](O)C(=O)O1)OC</smiles> <smiles>CC[C@H](CO)\C=C(\C)[C@H]1C[C@@H](C[C@@H](O)C(C)(C)[C@]2(O)O[C@@H](C[C@H](OC)[C@@H]2O)C[C@H](OC)[C@@H](O)C(=O)O1)OC</smiles> is A macrolide that is a novel secondary metabolite isolated from a New Zealand marine sponge, Mycale hentscheli. It has the role of antineoplastic agent . It has the role of microtubule-stabilising agent . It has the role of antimitotic . It has the role of marine metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as macrolide  . It is also related to or classified as ether  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as organic heterobicyclic compound , cyclic hemiketal .


The molecule <smiles>Clc1ccc(CO\N=C(/Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1</smiles> <smiles>Clc1ccc(CO\N=C(/Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1</smiles> is an imidazolium ion resulting from the protonation of the imidazole ring of oxiconazole. It is a conjugate acid of oxiconazole . It is also related to or classified as imidazolium ion .


The molecule <smiles>C[N+]([O-])=O</smiles> <smiles>C[N+]([O-])=O</smiles> is A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models. It has the role of NMR chemical shift reference compound . It has the role of polar aprotic solvent . It has the role of explosive . It has the role of EC 4.3.1.3 (histidine ammonia-lyase) inhibitor . It is also related to or classified as primary nitroalkane  . It is also related to or classified as volatile organic compound .


The molecule <smiles>CC(=O)N[C@@H](C(O)=O)C(C)(C)SN=O</smiles> <smiles>CC(=O)N[C@@H](C(O)=O)C(C)(C)SN=O</smiles> is A nitroso compound that is N-acetyl-D-penicillamine in which the sulfanyl hydrogen is replaced by a nitroso group. It has the role of vasodilator agent . It has the role of nitric oxide donor . Its functional parent is N-acetyl-D-penicillamine . It is also related to or classified as nitrosothio compound  . It is also related to or classified as nitroso compound .


The molecule <smiles>COC=O</smiles> <smiles>COC=O</smiles> is A formate ester resulting from the formal condensation of formic acid with methanol. A low-boiling (31.5 degreeC) colourless, flammable liquid, it has been used as a fumigant and larvicide for tobacco and food crops. It has the role of insecticide . It has the role of fumigant . It has the role of polar aprotic solvent . It has the role of refrigerant . Its functional parent is methanol .  It is also related to or classified as methyl ester  . It is also related to or classified as volatile organic compound , formate ester .


The molecule <smiles>CCN(CC)N(O)N=O</smiles> <smiles>CCN(CC)N(O)N=O</smiles> is A nitroso compound that is triazane in which the the nitrogen at position 1 is substituted by two ethyl groups, that at position 2 is substituted by a hydroxy group, and that at position 3 is substituted by an oxo group. It has the role of nitric oxide donor . It is a conjugate acid of NONOate(1-) . It is also related to or classified as nitroso compound , tertiary amino compound .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at position 1 and 2 are specified as arachidonoyl and palmitoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is arachidonic acid . It is also related to or classified as phosphatidylcholine (20:4/16:0)  . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>Cc1cc(c(O)c(C)c1CC1=[NH+]CCN1)C(C)(C)C</smiles> <smiles>Cc1cc(c(O)c(C)c1CC1=[NH+]CCN1)C(C)(C)C</smiles> is A carboxamidinium ion resulting from the protonation of the carboxamidine group of oxymetazoline. It is the major species at pH 7.3. It is a conjugate acid of oxymetazoline . It is also related to or classified as carboxamidinium ion .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine 36:2 in which the acyl groups positions 1 and 2 are specified as octadecanoyl and (9Z,12Z)-octadecadienoyl respectively. It has the role of mouse metabolite . Its functional parent is linoleic acid . Its functional parent is octadecanoic acid . It is also related to or classified as phosphatidylcholine 36:2  .


The molecule <smiles>CCCCCCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O</smiles> <smiles>CCCCCCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-capryl-sn-glycero-3-phosphate. It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate(2-)  .


The molecule <smiles>CCN(CC)N([O-])N=O</smiles> <smiles>CCN(CC)N([O-])N=O</smiles> is an organic anion that is the conjugate base of 1,1-diethyl-2-hydroxy-3-oxotriazane, obtained by deprotonation of the N-hydroxy group. It is also related to or classified as organic anion .


The molecule <smiles>[Na+].O[As](O)([O-])=O</smiles> <smiles>[Na+].O[As](O)([O-])=O</smiles> is an inorganic sodium salt that is the monosodium salt of arsenic acid. It has the role of carcinogenic agent . It is also related to or classified as inorganic sodium salt .


The molecule <smiles>C(CCCCCC)CCC(=O)OC[C@H](COP(O)(=O)O)O</smiles> <smiles>C(CCCCCC)CCC(=O)OC[C@H](COP(O)(=O)O)O</smiles> is A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as decanoyl. It is a conjugate acid of 1-decanoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate  . It is also related to or classified as decanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCO[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCCCCO[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A 2-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as hexadecyl. It is also related to or classified as 2-alkyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1</smiles> <smiles>CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(dimethylamino)pentanoic acid with the aromatic amino group of N-[(4-aminophenyl)carbamothioyl]-4-tert-butylbenzamide. It has the role of antineoplastic agent . It has the role of Sir2 inhibitor . It has the role of p53 activator . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as tertiary amino compound , thioureas .


The molecule <smiles>Clc1ccc(CO\N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1</smiles> <smiles>Clc1ccc(CO\N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1</smiles> is an oxime O-ether that is the 2,4-dichlorobenzyl ether of the oxime obtained by formal condensation of hydroxylamine with the carbonyl group of acetopnenone in which the phenyl group is substituted by chlorines at positions 2 and 4, and in which one of the hydrogens of the methyl group is replaced by a 1H-imidazol-1-yl group. An antifungal agent, it is used (generally as the nitrate salt) in creams and powders for the topical treatment of fungal skin infections. It has the role of antiinfective agent . It is also related to or classified as dichlorobenzene  . It is also related to or classified as oxime O-ether  . It is also related to or classified as imidazole antifungal drug , conazole antifungal drug , imidazoles .


The molecule <smiles>COC(C)=O</smiles> <smiles>COC(C)=O</smiles> is an acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 degreeC) colourless, flammable liquid, it is used as a solvent for many resins and oils. It has the role of fragrance . It has the role of polar aprotic solvent . It has the role of EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor .  It is also related to or classified as methyl ester  . It is also related to or classified as acetate ester  . It is also related to or classified as volatile organic compound .


The molecule <smiles>Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C</smiles> <smiles>Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C</smiles> is A member of the class of phenols that is 2,4-dimethylphenol which is substituted at positions 3 and 6 by 4,5-dihydro-1H-imidazol-2-ylmethyl and tert-butyl groups, respectively. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion. It has the role of sympathomimetic agent . It has the role of alpha-adrenergic agonist . It has the role of vasoconstrictor agent . It has the role of nasal decongestant . It is also related to or classified as phenols  . It is also related to or classified as carboxamidine  . It is also related to or classified as imidazolines .


The molecule <smiles>CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)\C=C\[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@H]4CC[C@@H]([C@H](C)O4)N(C)C)[C@@H](O)[C@](C)(O)CCCCC\C=C\[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1</smiles> <smiles>CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)\C=C\[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@H]4CC[C@@H]([C@H](C)O4)N(C)C)[C@@H](O)[C@](C)(O)CCCCC\C=C\[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1</smiles> is A  macrolide antibiotic that was originally isolated from the culture broths of Streptomyces hygroscopicus var. ossamyceticus. It has the role of antineoplastic agent . It has the role of bacterial metabolite .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as macrolide antibiotic , organic heterotetracyclic compound , cyclic hemiketal , spiroketal .


The molecule <smiles>CCNCC.CCN(CC)N(O)N=O</smiles> <smiles>CCNCC.CCN(CC)N(O)N=O</smiles> is an organoammonium salt that is the diethylammonium salt of 1,1-diethyl-2-hydroxy-3-oxotriazane. It has the role of nitric oxide donor . It is also related to or classified as organoammonium salt .


The molecule <smiles>CCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as capryl (decanoyl). It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as decanoate ester  .


The molecule <smiles>COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O</smiles> <smiles>COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O</smiles> is A 4'-methoxyisoflavone that is formononetin attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has the role of plant metabolite . Its functional parent is formononetin . It is also related to or classified as 4'-methoxyisoflavones  . It is also related to or classified as 7-hydroxyisoflavones 7-O-beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .


The molecule <smiles>N#CC(C1=CC=C(OC)C(OC)=C1)(CCC[NH+](C)CCC2=CC=C(OC)C(OC)=C2)C(C)C</smiles> <smiles>N#CC(C1=CC=C(OC)C(OC)=C1)(CCC[NH+](C)CCC2=CC=C(OC)C(OC)=C2)C(C)C</smiles> is an ammonium ion resulting from the protonation of the tertiary amino group of (S)-verapamil. It is a conjugate acid of (S)-verapamil . It is also related to or classified as ammonium ion derivative .


The molecule <smiles>[Cd++].[O-][N+]([O-])=O.[O-][N+]([O-])=O</smiles> <smiles>[Cd++].[O-][N+]([O-])=O.[O-][N+]([O-])=O</smiles> is an inorganic nitrate salt having Cd(2+) as the counterion. It has the role of genotoxin . It has the role of carcinogenic agent . It has the role of hepatotoxic agent . It is also related to or classified as cadmium salt , inorganic nitrate salt .


The molecule <smiles>COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC</smiles> <smiles>COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC</smiles> is A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. It is also related to or classified as nitrile  .  It is also related to or classified as polyether  . It is also related to or classified as aromatic ether , tertiary amino compound .


The molecule <smiles>CCCCCCC\C=C\C(CCCCCCCC(O)=O)OO</smiles> <smiles>CCCCCCC\C=C\C(CCCCCCCC(O)=O)OO</smiles> is A hydroperoxy fatty acid that is 9-hydroperoxy derivative of (10E)-octadecenoic acid. Its functional parent is oleic acid . It is a conjugate acid of 9-hydroperoxy-10E-octadecenoate . It is also related to or classified as hydroperoxyoctadecenoic acid .


The molecule <smiles>COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC</smiles> <smiles>COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC</smiles> is A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has R configuration. It competitively inhibits the multidrug resistance efflux pump P-glycoprotein (MDR-1, EC 3.6.3.44), thereby potentially increasing the effectiveness of a wide range of antineoplastic drugs which are inactivated by MDR-1 mechanisms. Dexverapamil exhibits lower calcium antagonistic activity and toxicity than racemic verapamil. It has the role of EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor . It is also related to or classified as 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile  .


The molecule <smiles>CC(C)(C)c1[nH]c2c(cc(cc2c1C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCc1ccccc1)C(C)(C)C)C(C)(C)C</smiles> <smiles>CC(C)(C)c1[nH]c2c(cc(cc2c1C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCc1ccccc1)C(C)(C)C)C(C)(C)C</smiles> is A tripeptide that is the 2-phenylethyl amide of L-arginyl-2,5,7-tri-tert-butyl-L-tryptophyl-L-arginine. It has the role of antimicrobial agent . It has the role of peptidomimetic . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as tripeptide  .


The molecule <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\C(CCCCCCCC)OO</smiles> <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\C(CCCCCCCC)OO</smiles> is is_a_ CHEBI:64517 in which 1 and 2-acyl groups are specified as hexadecanoyl and 10-hydroperoxy 8E-octadecenoyl respectively. It is also related to or classified as organic molecular entity .


The molecule <smiles>c1[nH+][nH]c2ccccc12.Cl[Ru-3](Cl)(Cl)(Cl)([n+]1cc2ccccc2[nH]1)[n+]1cc2ccccc2[nH]1</smiles> <smiles>c1[nH+][nH]c2ccccc12.Cl[Ru-3](Cl)(Cl)(Cl)([n+]1cc2ccccc2[nH]1)[n+]1cc2ccccc2[nH]1</smiles> is A ruthenium coordination entity that is the indazolium salt of tetrachloro[bis(1H-indazole-kappaN(2))]ruthenate. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It is also related to or classified as ruthenium coordination entity .


The molecule <smiles>COc1ccc(CC[NH+](C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC</smiles> <smiles>COc1ccc(CC[NH+](C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC</smiles> is an ammonium ion resulting from the protonation of the tertiary amino group of dexverapamil. It is a conjugate acid of dexverapamil . It is also related to or classified as ammonium ion derivative .


The molecule <smiles>CO[C@H]1CC\C=C(\C)/C=C/C[C@H](OC)\C=C(/C)\C=C\[C@@H](C)\C=C\C(=O)O[C@@H]([C@@H](C)\C=C\C=C\1)C(\C)=C\C=C(/C)CNC(=O)[C@H](CO)NC=O</smiles> <smiles>CO[C@H]1CC\C=C(\C)/C=C/C[C@H](OC)\C=C(/C)\C=C\[C@@H](C)\C=C\C(=O)O[C@@H]([C@@H](C)\C=C\C=C\1)C(\C)=C\C=C(/C)CNC(=O)[C@H](CO)NC=O</smiles> is A macrolide that is isolated from the marine tunicate Eudistoma cf. rigida and exhibits potent in vitro cytotoxic activity. It has the role of antineoplastic agent . It has the role of marine metabolite . Its functional parent is L-serine .  It is also related to or classified as macrolide  . It is also related to or classified as ether  . It is also related to or classified as formamides .


The molecule <smiles>CO[C@H]1CC\C=C(\C)/C=C/C[C@H](OC)\C=C(/C)\C=C\[C@@H](C)\C=C(C)\C(=O)O[C@@H]([C@@H](C)\C=C\C=C\1)C(\C)=C\C=C(/C)CNC(=O)[C@H](CO)NC=O</smiles> <smiles>CO[C@H]1CC\C=C(\C)/C=C/C[C@H](OC)\C=C(/C)\C=C\[C@@H](C)\C=C(C)\C(=O)O[C@@H]([C@@H](C)\C=C\C=C\1)C(\C)=C\C=C(/C)CNC(=O)[C@H](CO)NC=O</smiles> is A macrolide that is isolated from the marine tunicate Eudistoma cf. rigida and exhibits potent in vitro cytotoxic activity. It has the role of antineoplastic agent . It has the role of marine metabolite . Its functional parent is L-serine .  It is also related to or classified as macrolide  . It is also related to or classified as ether  . It is also related to or classified as formamides .


The molecule <smiles>O=C1CCCCN1</smiles> <smiles>O=C1CCCCN1</smiles> is A delta-lactam that is piperidine which is substituted by an oxo group at position 2. It has the role of EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor .  It is also related to or classified as delta-lactam  . It is also related to or classified as piperidones .


The molecule <smiles>COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC</smiles> <smiles>COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC</smiles> is A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration. It is also related to or classified as 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile  .


The molecule <smiles>[Na+].[Na+].[O-][Se]([O-])(=O)=O</smiles> <smiles>[Na+].[Na+].[O-][Se]([O-])(=O)=O</smiles> is an inorganic sodium salt having selenate as the counterion. It has the role of fertilizer . It has the role of EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor . It has the role of anticonvulsant . It is also related to or classified as inorganic sodium salt .


The molecule <smiles>[H][C@@]1(C[C@H](C)[C@]2(CC[C@]3(C)C[C@@]4([H])[C@]([H])(C(=O)C[C@@]4(C)O)\C(C=O)=C/C[C@@]23[H])O1)C=C(C)C</smiles> <smiles>[H][C@@]1(C[C@H](C)[C@]2(CC[C@]3(C)C[C@@]4([H])[C@]([H])(C(=O)C[C@@]4(C)O)\C(C=O)=C/C[C@@]23[H])O1)C=C(C)C</smiles> is A sesterterpenoid that is ophiobolane with a hydroxy group at position 3, oxo groups at positions 5 and 25, double bonds at positions 7-8 and 19-20, and an oxygen link between positions 14 and 18.  It is also related to or classified as tertiary alcohol  .   It is also related to or classified as enal  . It is also related to or classified as sesterterpenoid , oxaspiro compound , cyclic ketone .


The molecule <smiles>CCCCCCCCC(OO)\C=C\CCCCCCC(O)=O</smiles> <smiles>CCCCCCCCC(OO)\C=C\CCCCCCC(O)=O</smiles> is A hydroperoxy fatty acid that is 10-hydroperoxy derivative of (8E)-octadecenoic acid. Its functional parent is oleic acid . It is a conjugate acid of 10-hydroperoxy-8E-octadecenoate . It is also related to or classified as hydroperoxyoctadecenoic acid .


The molecule <smiles>COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(nc12)C(F)(F)F</smiles> <smiles>COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(nc12)C(F)(F)F</smiles> is an aromatic amide resulting from the formal condensation of the carboxy group of 8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid with the primary amino group of 3,5-dichloropyridin-4-amine 1-oxide. It is a potent inhibitor of phosphodiesterase IV (PDE4). It has the role of phosphodiesterase IV inhibitor .  It is also related to or classified as monocarboxylic acid amide  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as quinolines , aromatic ether , pyridine N-oxides , chloropyridine , aromatic amide .


The molecule <smiles>CCN(CC)C(=O)SCc1ccccc1Cl</smiles> <smiles>CCN(CC)C(=O)SCc1ccccc1Cl</smiles> is A monothiocarbamic ester that is carbamothioic S-acid substituted by two ethyl groups at the nitrogen atom and a 2-chlorobenzyl group at the the sulfur atom. It has the role of herbicide . It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as monothiocarbamic ester , monochlorobenzenes .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC(OO)\C=C\CCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC(OO)\C=C\CCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine in which 1 and 2-acyl groups are specified as palmitoyl (hexadecanoyl) and (10E)-9-hydroperoxyoctadecenoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is 9-hydroperoxy-10E-octadecenoic acid . It is also related to or classified as oxidized glycerophosphocholine zwitterion  . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>CCCCCCC\C=C\C(CCCCCCCC([O-])=O)OO</smiles> <smiles>CCCCCCC\C=C\C(CCCCCCCC([O-])=O)OO</smiles> is A hydroperoxy fatty acid anion resulting from the deprotonation of the carboxy group of 9-hydroperoxy-10E-octadecenoic acid. The major species at pH 7.3. It is also related to or classified as hydroperoxyoctadecenoate .


The molecule <smiles>CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1</smiles> <smiles>CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1</smiles> is A racemate composed of equimolar amounts of (R)- and (S)-tetrindole mesylate. It has the role of antidepressant . It has the role of serotonergic agonist . It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor . It is also related to or classified as racemate .


The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@@H]([NH3+])CO</smiles> <smiles>CCCCCCCCCCCCCCCCOC[C@@H]([NH3+])CO</smiles> is an organic cation obtained by protonation of the amino group of 1-hexadecyl-2-amino-2-deoxy-sn-glycerol; major species at pH 7.3. It is also related to or classified as primary ammonium ion  . It is also related to or classified as organic cation .


The molecule <smiles>Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1</smiles> <smiles>Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1</smiles> is A sulfonamide that is sulfanilamide in which the sulfonamide nitrogen is substituted by a 1-phenyl-1H-pyrazol-5-yl group. It is a selective inhibitor of cytochrome P450 (CYP) 2C9 isozyme, and antibacterial agent. It has the role of antibacterial drug . It has the role of P450 inhibitor . It has the role of EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor . It has the role of EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor .     It is also related to or classified as sulfonamide  . It is also related to or classified as pyrazoles , substituted aniline , primary amino compound , sulfonamide antibiotic .


The molecule <smiles>CCCCCCCCC[C@@H](O)CC(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CO)NC1=O)=C\C)[C@H](O)C(O)=O)[C@H](O)CCl</smiles> <smiles>CCCCCCCCC[C@@H](O)CC(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CO)NC1=O)=C\C)[C@H](O)C(O)=O)[C@H](O)CCl</smiles> is A member of the class of syringomycins that has 3-hydroxydodecanoyl as the fatty acyl tail group. It is isolated from Pseudomonas syringae pv. syringae and exhibits phytotoxic and antifungal properties. It has the role of antifungal agent . It has the role of phytotoxin . It is also related to or classified as lipopeptide antibiotic , syringomycin .


The molecule <smiles>CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCN[C@@H]4CCCc(c34)c2c1</smiles> <smiles>CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCN[C@@H]4CCCc(c34)c2c1</smiles> is A methanesulfonate (mesylate) salt prepared from equimolar amounts of (R)-tetrindole and methanesulfonic acid. It is also related to or classified as methanesulfonate salt .


The molecule <smiles>Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1</smiles> <smiles>Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1</smiles> is A member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group. It is also related to or classified as organic sulfide  . It is also related to or classified as dichlorobenzene  . It is also related to or classified as imidazoles , monochlorobenzenes .


The molecule <smiles>Cl.C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1</smiles> <smiles>Cl.C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1</smiles> is A racemate composed of equimolar amounts of (R)- and (S)-tetrindole hydrochloride. It has the role of antidepressant . It has the role of serotonergic agonist . It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor . It is also related to or classified as racemate .


The molecule <smiles>Cl.C1CCC(CC1)c1ccc2n3CCN[C@@H]4CCCc(c34)c2c1</smiles> <smiles>Cl.C1CCC(CC1)c1ccc2n3CCN[C@@H]4CCCc(c34)c2c1</smiles> is A hydrochloride prepared from equimolar amounts of (R)-tetrindole and hydrochloric acid. It is also related to or classified as hydrochloride .


The molecule <smiles>CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCN[C@H]4CCCc(c34)c2c1</smiles> <smiles>CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCN[C@H]4CCCc(c34)c2c1</smiles> is A methanesulfonate (mesylate) salt prepared from equimolar amounts of (S)-tetrindole and methanesulfonic acid. It is also related to or classified as methanesulfonate salt .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O</smiles> is A long-chain omega-3 fatty acid that is docosanoic acid having three double bonds located at positions 13, 16 and 19 (the (13Z,16Z,19Z-geoisomer). It is a conjugate acid of (13Z,16Z,19Z)-docosatrienoate . It is also related to or classified as omega-3 fatty acid , docosatrienoic acid .


The molecule <smiles>C[C@H]1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> <smiles>C[C@H]1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> is 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid that has S configuration. It has the role of antiinfective agent . It has the role of antibacterial drug . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It is also related to or classified as 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid  .


The molecule <smiles>CC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> <smiles>CC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> is A quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, and 7 by 2,4-difluorophenyl, fluorine, and 3-methylpiperazin-1-yl groups, respectively.    It is also related to or classified as organofluorine compound  . It is also related to or classified as quinolone , monocarboxylic acid , amino acid , N-arylpiperazine , secondary amino compound , quinolone antibiotic , tertiary amino compound .


The molecule <smiles>C1CCC(CC1)c1ccc2n3CC[NH2+][C@H]4CCCc(c34)c2c1</smiles> <smiles>C1CCC(CC1)c1ccc2n3CC[NH2+][C@H]4CCCc(c34)c2c1</smiles> is (S)-tetrindole(1+). It is a conjugate acid of (S)-tetrindole . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@@H]([NH3+])COP([O-])([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCCOC[C@@H]([NH3+])COP([O-])([O-])=O</smiles> is an anionic phospholipid that is the conjugate base of 1-O-palmityl-2-desoxy-2-amino-sn-glycero-3-phosphate. Its functional parent is 1-hexadecyl-2-ammonio-2-deoxy-sn-glycerol . It is also related to or classified as anionic phospholipid .


The molecule <smiles>C1CCC(CC1)c1ccc2n3CC[NH2+][C@@H]4CCCc(c34)c2c1</smiles> <smiles>C1CCC(CC1)c1ccc2n3CC[NH2+][C@@H]4CCCc(c34)c2c1</smiles> is an organic cation obtained by protonation of the secondary amino group of (R)-tetrindole. It is a conjugate acid of (R)-tetrindole . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is 6-Deoxy-D-glucos-6-yl corynomycolate in which the configurations at the 2- and 3-positions of the corynomycolate moiety are both R. It is also related to or classified as 6-deoxy-D-glucos-6-yl corynomycolate  .


The molecule <smiles>Cl.C1CCC(CC1)c1ccc2n3CCN[C@H]4CCCc(c34)c2c1</smiles> <smiles>Cl.C1CCC(CC1)c1ccc2n3CCN[C@H]4CCCc(c34)c2c1</smiles> is A hydrochloride obtained by combining equimolar amounts of (S)-tetrindole and hydrochloric acid. It is also related to or classified as hydrochloride .


The molecule <smiles>C1CCC(CC1)c1ccc2n3CCN[C@@H]4CCCc(c34)c2c1</smiles> <smiles>C1CCC(CC1)c1ccc2n3CCN[C@@H]4CCCc(c34)c2c1</smiles> is an 8-cyclohexyl-2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole that is the (R)-enantiomer of tetrindole. It is also related to or classified as 8-cyclohexyl-2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole  .


The molecule <smiles>[O-]C(=O)CCCCCCCC=O</smiles> <smiles>[O-]C(=O)CCCCCCCC=O</smiles> is an aldehydic acid anion that is the conjugate base of 9-oxononanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor . It is also related to or classified as medium-chain fatty acid anion  .  It is also related to or classified as omega-oxo fatty acid anion  . It is also related to or classified as aldehydic acid anion .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@H](O)CCCCCCCCCCCCCCCC\C=C/CCCCCCCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@H](O)CCCCCCCCCCCCCCCC\C=C/CCCCCCCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A mycolate ester formed by esterification of (2R,3R,20Z,35Z)-3-hydroxy-2-tetracosanylhexapentaconta-20,35-dienoic acid with the 6-OH of D-glucose. (C80 is the average tail length of a reported naturally occurring range of 72-86 carbon atoms.). Its functional parent is D-glucopyranose . It is also related to or classified as mycolate ester .


The molecule <smiles>CCOC(=O)C1(CCC=CC1N(C)C)c1ccccc1</smiles> <smiles>CCOC(=O)C1(CCC=CC1N(C)C)c1ccccc1</smiles> is an amino acid ester that is the ethyl ester of cyclohex-3-ene-1-carboxylic acid in which the cyclohexane ring is substituted at positions 1 and 2 by phenyl and dimethylamino groups, respectively. It has four possible diastereoisomers; the opioid analgesic drug tilidine is a racemate comprising the two trans diastereoisomers. Its functional parent is ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate . It is also related to or classified as ethyl ester  . It is also related to or classified as amino-acid ester , tertiary amino compound .


The molecule <smiles>C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1</smiles> <smiles>C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1</smiles> is an organic heterotetracyclic compound that is 2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole carrying a cyclohexyl substituent at position 8. It is also related to or classified as organic heterotetracyclic compound .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O</smiles> is A 2-acyl-sn-glycero-3-phosphoserine(1-) in which the 2-acyl group is specified as arachidonoyl. It is also related to or classified as 2-acyl-sn-glycero-3-phosphoserine(1-)  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC([O-])=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC([O-])=O</smiles> is A long-chain polyunsaturated fatty acid anion that is the conjugate base of (13Z,16Z,19Z)-docosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as docosatrienoate  . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as polyunsaturated fatty acid anion .


The molecule <smiles>CCCC(S)CCOC(C)=O</smiles> <smiles>CCCC(S)CCOC(C)=O</smiles> is an acetate ester obtained by formal O-acetylation of 3-mercaptohexanol. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is 3-mercaptohexanol . It is also related to or classified as acetate ester  . It is also related to or classified as alkanethiol  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and butanoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is butyric acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and valeroyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is valeric acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c1ccccc1</smiles> <smiles>CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c1ccccc1</smiles> is an ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate that has S configuration at the carbon bearing the phenyl group and R configuration at the carbon bearing the dimethylamino group. The opioid analgesic tilidine is the racemate comprising equimolar amounts of dextilidine and its enantiomer, ent-dextilidine. A prodrug, tilidine is converted by the liver to the active analgesic, nortilidine; virtually all of the opioid activity resides in the (1S,2R) isomer (i.e. the isomer derived from dextilidine). It has the role of opioid analgesic . It has the role of prodrug . It is also related to or classified as ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate  .


The molecule <smiles>C1CCC(CC1)c1ccc2n3CCN[C@H]4CCCc(c34)c2c1</smiles> <smiles>C1CCC(CC1)c1ccc2n3CCN[C@H]4CCCc(c34)c2c1</smiles> is an 8-cyclohexyl-2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole that is the (S)-enantiomer of tetrindole. It is also related to or classified as 8-cyclohexyl-2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole  .


The molecule <smiles>C[C@@H]1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> <smiles>C[C@@H]1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F</smiles> is 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid that has R configuration. It has the role of antiinfective agent . It has the role of antibacterial drug . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It is also related to or classified as 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid  .


The molecule <smiles>CCOC(=O)[C@]1(CCC=C[C@@H]1N(C)C)c1ccccc1</smiles> <smiles>CCOC(=O)[C@]1(CCC=C[C@@H]1N(C)C)c1ccccc1</smiles> is an ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate that has R configuration at the carbon bearing the phenyl group and S configuration at the carbon bearing the dimethylamino group. It is the enantiomer of dextilidine; the opioid analgesic tilidine is the racemate comprising equimolar amounts of dextilidine and ent-dextilidine. It is also related to or classified as ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate  .


The molecule <smiles>CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CNCCCC[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSC4C)C(=O)N[C@@H](CS[C@H]2C)C(=O)N3)NC1=O)[C@@H](O)C(O)=O)C(O)=O</smiles> <smiles>CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CNCCCC[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSC4C)C(=O)N[C@@H](CS[C@H]2C)C(=O)N3)NC1=O)[C@@H](O)C(O)=O)C(O)=O</smiles> is A 19-membered heterodetic cyclic peptide that is isolated from Streptoverticillium cinnamoneus. It exhibits antiproliferative properties and induces apoptosis in tumour cells and has been used for treatment of cystic fibrosis. It has the role of antimicrobial agent . It has the role of apoptosis inducer . It has the role of bacterial metabolite .  It is also related to or classified as macrocycle  . It is also related to or classified as heterodetic cyclic peptide .


The molecule <smiles>N[C@H](Cc1cccs1)C(O)=O</smiles> <smiles>N[C@H](Cc1cccs1)C(O)=O</smiles> is an alanine derivative that is D-alanine in which one of the methyl hydrogens is replaced by a 2-thienyl group. Its functional parent is D-alanine . It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as thiophenes .


The molecule <smiles>OC(CCl)C(O)=O</smiles> <smiles>OC(CCl)C(O)=O</smiles> is A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is replaced by a chloro group. Its functional parent is rac-lactic acid . It is also related to or classified as organochlorine compound  . It is also related to or classified as 2-hydroxy monocarboxylic acid .


The molecule <smiles>CCOC(=O)C1(CCC=CC1NC)c1ccccc1</smiles> <smiles>CCOC(=O)C1(CCC=CC1NC)c1ccccc1</smiles> is an amino acid ester that is the ethyl ester of cyclohex-3-ene-1-carboxylic acid in which the cyclohexane ring is substituted at positions 1 and 2 by phenyl and methylamino groups, respectively. It is also related to or classified as ethyl ester  . It is also related to or classified as secondary amino compound , beta-amino acid ester .


The molecule <smiles>CCOC(=O)[C@]1(CCC=C[C@@H]1NC)c1ccccc1</smiles> <smiles>CCOC(=O)[C@]1(CCC=C[C@@H]1NC)c1ccccc1</smiles> is an ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate that is ent-dextilidine in which one of the methyl groups attached to the nitrogen is replaced by hydrogen. ent-Dextilidine is metabolised to (1R,2S)-nortilidine by the liver. It has the role of drug metabolite . It has the role of NMDA receptor antagonist . It is also related to or classified as ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate  .


The molecule <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(N)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(N)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is A 3beta-sterol that is cholesterol substituted at position 7 by an amino group. It has the role of antibacterial agent . Its functional parent is cholesterol . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 3beta-sterol  . It is also related to or classified as cholestanoid , primary amino compound .


The molecule <smiles>NC(Cc1c[nH]c2ccc(F)cc12)C(O)=O</smiles> <smiles>NC(Cc1c[nH]c2ccc(F)cc12)C(O)=O</smiles> is A non-proteinogenic alpha-amino acid that is tryptophan in which the hydrogen at position 5 on the indole ring is replaced by a fluoro group.  It is also related to or classified as organofluorine compound  . It is also related to or classified as tryptophan derivative , non-proteinogenic alpha-amino acid .


The molecule <smiles>[Br-].[Br-].C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1</smiles> <smiles>[Br-].[Br-].C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1</smiles> is A quaternary ammonium salt that is the dibromide salt of 1,1'-hexadecane-1,16-diylbis(1-methylpyrrolidinium). It is also related to or classified as quaternary ammonium salt , organic bromide salt .


The molecule <smiles>CCOC(=O)[C@@]1(CCC=C[C@H]1NC)c1ccccc1</smiles> <smiles>CCOC(=O)[C@@]1(CCC=C[C@H]1NC)c1ccccc1</smiles> is A ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate that is dextilidine in which one of the methyl groups attached to the nitrogen is replaced by hydrogen. Dextilidine is a prodrug for  (1S,2R)-nortilidine, being metabolised to it by the liver. It has the role of opioid analgesic . It has the role of drug metabolite . It is also related to or classified as ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate  .


The molecule <smiles>Brc1ccc2[nH]c(=O)oc2c1</smiles> <smiles>Brc1ccc2[nH]c(=O)oc2c1</smiles> is A member of the class of benzoxazoles that is 2-benzoxazolinone substituted at position 6 by a bromo group. It is also related to or classified as organobromine compound  . It is also related to or classified as benzoxazole .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is an amino pentasaccharide consisting of a di-N-acetylated lactosediamine to which is linked (1->3) an alpha-L-fucosyl residue and which is in turn linked (1->3) to the galectose residue of a second lactose moiety. Saccharide portion of the antigen lacdiNAc fucopentaose-BSA. It is also related to or classified as glucosamine oligosaccharide , amino pentasaccharide .


The molecule <smiles>CC(C)[C@@H]([NH3+])C(=O)O[C@H](C)[C@@H]1C\C=C/CC[C@H](O)C(C)(C)[C@@H]2CC[C@@H](C)[C@@]3(O[B-]45O[C@H]3C(=O)O[C@H]3C[C@@H](CCC[C@@H](O)C(C)(C)[C@@H]6CC[C@@H](C)[C@@](O4)(O6)[C@@H](O5)C(=O)O1)O[C@@H]3C)O2</smiles> <smiles>CC(C)[C@@H]([NH3+])C(=O)O[C@H](C)[C@@H]1C\C=C/CC[C@H](O)C(C)(C)[C@@H]2CC[C@@H](C)[C@@]3(O[B-]45O[C@H]3C(=O)O[C@H]3C[C@@H](CCC[C@@H](O)C(C)(C)[C@@H]6CC[C@@H](C)[C@@](O4)(O6)[C@@H](O5)C(=O)O1)O[C@@H]3C)O2</smiles> is A boron-containing macrolide antibiotic that is isolated from Streptomyces antibioticus. It has the role of antibacterial agent . It has the role of anti-HIV agent . It has the role of bacterial metabolite .   It is also related to or classified as zwitterion  . It is also related to or classified as macrodiolide , macrolide antibiotic , oxaspiro compound , organoboron compound .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and propionyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is propionic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1</smiles> <smiles>C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1</smiles> is A quaternary ammonium ion obtained by methylation of the two tertiary amino groups of 1,1'-hexadecane-1,16-diyldipyrrolidine. It is also related to or classified as quaternary ammonium ion  .


The molecule <smiles>[Na+].OC[C@H](N=[N+]=[N-])[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O</smiles> <smiles>[Na+].OC[C@H](N=[N+]=[N-])[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O</smiles> is the sodium salt of (allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onic acid. It is also related to or classified as organic sodium salt .


The molecule <smiles>OC[C@H](N=[N+]=[N-])[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C(O)=O</smiles> <smiles>OC[C@H](N=[N+]=[N-])[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C(O)=O</smiles> is the carbohydrate acid derivative that is the allyl glycoside of 7-azido-7-deoxy-7-epi-Kdo. Its functional parent is 7-epi-Kdo . It is a conjugate acid of (allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onate . It is also related to or classified as azide  . It is also related to or classified as glycoside  . It is also related to or classified as carbohydrate acid derivative .


The molecule <smiles>CC[C@@H]1[C@@H](C)O[C@](O)(C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)\C=C\C=C\[C@H](C)[C@H](OC(=O)\C=C\C=C\[C@@H]1C)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](CC)[C@@H](C)O1</smiles> <smiles>CC[C@@H]1[C@@H](C)O[C@](O)(C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)\C=C\C=C\[C@H](C)[C@H](OC(=O)\C=C\C=C\[C@@H]1C)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](CC)[C@@H](C)O1</smiles> is A macrodiolide that is isolated from several bacteria including Streptomyces violaceoniger and other soil actinomycetes. It has the role of antifungal agent . It has the role of bacterial metabolite . It has the role of autophagy inhibitor .  It is also related to or classified as lactol  . It is also related to or classified as macrodiolide , monosaccharide derivative .


The molecule <smiles>OCC\C(=C/C1=[O+][Fe-3]2345[O+]=C(\C=C(\C)CCO)N(CCC[C@H]6C(NCC(N[C@@H](CO)C(N[C@@H](CO)C(N[C@H](C(N[C@H](C(N6)=O)CCCN(C(\C=C(\C)CCO)=[O+]2)O3)=O)CCCN1O4)=O)=O)=O)=O)O5)C</smiles> <smiles>OCC\C(=C/C1=[O+][Fe-3]2345[O+]=C(\C=C(\C)CCO)N(CCC[C@H]6C(NCC(N[C@@H](CO)C(N[C@@H](CO)C(N[C@H](C(N[C@H](C(N6)=O)CCCN(C(\C=C(\C)CCO)=[O+]2)O3)=O)CCCN1O4)=O)=O)=O)=O)O5)C</smiles> is A member of the class of ferrichromes that is an iron(III) chelate of the homodetic cyclic hexapeptide (cyclo{glycyl-L-seryl-L-seryl-N(5)-hydroxy-N(5)-[(2Z)-5-hydroxy-3-methyl-1-pent-2-enoyl]-L-ornithyl-N(5)-hydroxy-N(5)-[(2Z)-5-hydroxy-3-methyl-1-pent-2-enoyl]-L-ornithyl-N(5)-hydroxy-N(5)-[(2Z)-5-hydroxy-3-methyl-1-pent-2-enoyl]-L-ornithine. It has the role of fungal metabolite . It is also related to or classified as homoallylic alcohol  . It is also related to or classified as ferrichromes  .


The molecule <smiles>CCCCC\C=C/C=C/[C@H](O)CCCCCCCC([O-])=O</smiles> <smiles>CCCCC\C=C/C=C/[C@H](O)CCCCCCCC([O-])=O</smiles> is A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of 9(R)-HODE; major species at pH 7.3. It is also related to or classified as HODE(1-) , polyunsaturated fatty acid anion , octadecanoid anion , hydroxy fatty acid anion .


The molecule <smiles>[K+].C\C=C\C=C\C([O-])=O</smiles> <smiles>[K+].C\C=C\C=C\C([O-])=O</smiles> is A potassium salt having sorbate as the counterion. It has the role of antimicrobial food preservative . It is also related to or classified as potassium salt .


The molecule <smiles>CC(=O)CC(C)(C)S</smiles> <smiles>CC(=O)CC(C)(C)S</smiles> is an alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group. It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It is also related to or classified as alkanethiol  . It is also related to or classified as methyl ketone .


The molecule <smiles>OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOC(c1ccccc1)c1ccccc1C</smiles> <smiles>OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOC(c1ccccc1)c1ccccc1C</smiles> is A citrate salt which comprises equimolar amounts of orphenadrine and citric acid. It has the role of H1-receptor antagonist . It has the role of muscarinic antagonist . It has the role of parasympatholytic . It has the role of muscle relaxant . It has the role of NMDA receptor antagonist . It is also related to or classified as citrate salt .


The molecule <smiles>OC[C@H](N=[N+]=[N-])[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O</smiles> <smiles>OC[C@H](N=[N+]=[N-])[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O</smiles> is the carbohydrate acid derivative anion formed from (allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onic acid by proton loss from the carboxy group. It is also related to or classified as carbohydrate acid derivative anion .


The molecule <smiles>CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4OC(C)(C)O[C@@H]4[C@@H](C)O2)[C@]13C(O)=O</smiles> <smiles>CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4OC(C)(C)O[C@@H]4[C@@H](C)O2)[C@]13C(O)=O</smiles> is A tetracyclic diterpenoid that is a semisynthetic analogue of sordadin. It has a tetracyclic diterpene glycoside structure. It has the role of antifungal agent . It has the role of protein synthesis inhibitor . Its functional parent is sordarin . It is also related to or classified as glycoside  . It is also related to or classified as tetracyclic diterpenoid , monosaccharide derivative , semisynthetic derivative .


The molecule <smiles>Clc1sccc1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl</smiles> <smiles>Clc1sccc1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl</smiles> is A member of the class of imidazoles that comprises 2-(2,4-dichlorophenyl)ethylimidazole carrying an additional (2-chloro-3-thienyl)methoxy substituent at position 2. It is also related to or classified as dichlorobenzene  .  It is also related to or classified as ether  . It is also related to or classified as imidazoles , thiophenes .


The molecule <smiles>[Na+].CO[C@H](CO)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O</smiles> <smiles>[Na+].CO[C@H](CO)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O</smiles> is the sodium salt of (allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onic acid. It is also related to or classified as organic sodium salt .


The molecule <smiles>CO[C@H]1[C@@H](C)[C@H](O[C@@](O)([C@H](C)C([O-])=O)[C@@H]1C)[C@H](C)[C@H]1O[C@@]2(CC[C@](C)(O2)[C@H]2CC[C@](C)(O2)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@](C)(O)[C@H](C)C[C@@H]2C)C[C@H](O)[C@H]1C</smiles> <smiles>CO[C@H]1[C@@H](C)[C@H](O[C@@](O)([C@H](C)C([O-])=O)[C@@H]1C)[C@H](C)[C@H]1O[C@@]2(CC[C@](C)(O2)[C@H]2CC[C@](C)(O2)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@](C)(O)[C@H](C)C[C@@H]2C)C[C@H](O)[C@H]1C</smiles> is A hydroxy monocarboxylic acid anion that is the conjugate base of mutalomycin, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion .


The molecule <smiles>CO[C@H](CO)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O</smiles> <smiles>CO[C@H](CO)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O</smiles> is the carbohydrate acid derivative anion formed from (allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onic acid by proton loss from the carboxy group. It is also related to or classified as carbohydrate acid derivative anion .


The molecule <smiles>Clc1sccc1CO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl</smiles> <smiles>Clc1sccc1CO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl</smiles> is A 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (R)-enantiomer of tioconazole. It is also related to or classified as 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole  .


The molecule <smiles>CCC(C)=C</smiles> <smiles>CCC(C)=C</smiles> is an alkene that is but-1-ene carrying a methyl substituent at position 2. It is also related to or classified as alkene  .


The molecule <smiles>CC(C)\C=C\O</smiles> <smiles>CC(C)\C=C\O</smiles> is an enol that is 3-methylbut-1-ene in which one of the terminal hydrogens is replaced by a hydroxy group. It is also related to or classified as enol  .


The molecule <smiles>[Na+].OC[C@@H](O)[C@H]1O[C@@]2(C[C@@H](O)[C@H]1O)OC[C@@H](OC2=O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O</smiles> <smiles>[Na+].OC[C@@H](O)[C@H]1O[C@@]2(C[C@@H](O)[C@H]1O)OC[C@@H](OC2=O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O</smiles> is the sodium salt of a carbohydrate lactone formed from alpha-Kdo-(2->8)-alpha-Kdo-OAll by lactone formation between the carboxy group of the non-reducing alpha-Kdo residue and O-7 of the alpha-Kdo-OAll residue. It is also related to or classified as organic sodium salt .


The molecule <smiles>CO[C@H]1[C@@H](C)[C@H](O[C@@](O)([C@H](C)C(O)=O)[C@@H]1C)[C@H](C)[C@H]1O[C@@]2(CC[C@](C)(O2)[C@H]2CC[C@](C)(O2)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@](C)(O)[C@H](C)C[C@@H]2C)C[C@H](O)[C@H]1C</smiles> <smiles>CO[C@H]1[C@@H](C)[C@H](O[C@@](O)([C@H](C)C(O)=O)[C@@H]1C)[C@H](C)[C@H]1O[C@@]2(CC[C@](C)(O2)[C@H]2CC[C@](C)(O2)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@](C)(O)[C@H](C)C[C@@H]2C)C[C@H](O)[C@H]1C</smiles> is A polyether antibiotic produced by a strain of Streptomyces mutabilis NRRL 8088. It has the role of ionophore . It has the role of bacterial metabolite . It is a conjugate acid of mutalomycin(1-) . It is also related to or classified as polyether antibiotic , oxolanes , 3-hydroxy monocarboxylic acid , cyclic hemiketal , spiroketal .


The molecule <smiles>OC[C@@H](O)[C@H]1O[C@@]2(C[C@@H](O)[C@H]1O)OC[C@@H](OC2=O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O</smiles> <smiles>OC[C@@H](O)[C@H]1O[C@@]2(C[C@@H](O)[C@H]1O)OC[C@@H](OC2=O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O</smiles> is the carbohydrate acid derivative anion formed by proton loss from the carboxy group of alpha-Kdo-(2->8)-alpha-Kdo-OAll II(1),I(7)-lactone. It is also related to or classified as carbohydrate acid derivative anion .


The molecule <smiles>CO[C@H](CO)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C(O)=O</smiles> <smiles>CO[C@H](CO)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C(O)=O</smiles> is the carbohydrate acid derivative that is the allyl glycoside of 7-O-methyl-Kdo. It is a conjugate acid of (allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onate . It is also related to or classified as glycoside  . It is also related to or classified as carbohydrate acid derivative .


The molecule <smiles>[Na+].CO[C@H]1[C@@H](C)[C@H](O[C@@](O)([C@H](C)C([O-])=O)[C@@H]1C)[C@H](C)[C@H]1O[C@@]2(CC[C@](C)(O2)[C@H]2CC[C@](C)(O2)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@](C)(O)[C@H](C)C[C@@H]2C)C[C@H](O)[C@H]1C</smiles> <smiles>[Na+].CO[C@H]1[C@@H](C)[C@H](O[C@@](O)([C@H](C)C([O-])=O)[C@@H]1C)[C@H](C)[C@H]1O[C@@]2(CC[C@](C)(O2)[C@H]2CC[C@](C)(O2)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@](C)(O)[C@H](C)C[C@@H]2C)C[C@H](O)[C@H]1C</smiles> is an organic sodium salt that is the monosodium salt of mutalomycin. It has the role of ionophore . It has the role of antimicrobial agent . It is also related to or classified as organic sodium salt .


The molecule <smiles>O[C@@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O</smiles> <smiles>O[C@@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O</smiles> is A ketooctose derivative that is D-glycero-D-altro-octulose carrying two phosphate substituents at positions 1 and 8. It is also related to or classified as ketose phosphate , ketooctose derivative .


The molecule <smiles>Clc1sccc1CO[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl</smiles> <smiles>Clc1sccc1CO[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl</smiles> is A 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of tioconazole. It is also related to or classified as 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole  .


The molecule <smiles>OC[C@@H](O)[C@H]1O[C@@]2(C[C@@H](O)[C@H]1O)OC[C@@H](OC2=O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C(O)=O</smiles> <smiles>OC[C@@H](O)[C@H]1O[C@@]2(C[C@@H](O)[C@H]1O)OC[C@@H](OC2=O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C(O)=O</smiles> is A carbohydrate lactone formed from alpha-Kdo-(2->8)-alpha-Kdo-OAll by lactone formation between the carboxy group of the non-reducing alpha-Kdo residue and O-7 of the alpha-Kdo-OAll residue. Its functional parent is alpha-Kdo-(2->8)-alpha-Kdo . It is a conjugate acid of alpha-Kdo-(2->8)-alpha-Kdo-OAll(1-) II(1),I(7)-lactone . It is also related to or classified as carbohydrate lactone , disaccharide derivative .


The molecule <smiles>CCCCCCCCCCCC(C)=O</smiles> <smiles>CCCCCCCCCCCC(C)=O</smiles> is A methyl ketone that is tridecane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has the role of flavouring agent . It has the role of plant metabolite . It is also related to or classified as methyl ketone .


The molecule <smiles>CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)C(C)C</smiles> <smiles>CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)C(C)C</smiles> is A sterol ester that is the 3-hexanoyl derivative of (24S)-24-hydroxycholesterol. It is also related to or classified as (24S)-24-hydroxycholesterol ester  . It is also related to or classified as hexanoate ester  .


The molecule <smiles>CC[C@H]1[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@H](OC)[C@H](OC(=O)\C(OC)=C\C(\C)=C\[C@@H](C)[C@H]1O)[C@@H](C)[C@@H](O)[C@H](C)[C@H]1C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C</smiles> <smiles>CC[C@H]1[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@H](OC)[C@H](OC(=O)\C(OC)=C\C(\C)=C\[C@@H](C)[C@H]1O)[C@@H](C)[C@@H](O)[C@H](C)[C@H]1C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C</smiles> is A macrolide antibiotic that is a semisynthetic analogue of concanamycin A, possessing an 18-membered lactone ring and a 6-membered oxane ring in which the hydroxy group at position 23 is glycosylated by a 4-O-carbamoyl-2,6-dideoxy-beta-D-arabino-hexopyranosyl residue.    It is also related to or classified as enol ether  . It is also related to or classified as carbamate ester , macrolide antibiotic , tetrol , monosaccharide derivative , semisynthetic derivative .