The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O</smiles> is A dipeptide formed from L-phenylalanine and L-isoleucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CSCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O</smiles> <smiles>CSCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O</smiles> is A dipeptide formed from L-methionine and L-histidine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>Nc1ccc2cc3ccc([NH3+])cc3[nH+]c2c1</smiles> <smiles>Nc1ccc2cc3ccc([NH3+])cc3[nH+]c2c1</smiles> is an acridinium ion resulting from the protonation of the endocyclic nitrogen and one of the amino groups of 3,6-diaminoacridine. It is a conjugate acid of 3,6-diaminoacridine(1+) . It is also related to or classified as acridinium ion .


The molecule <smiles>CSCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> <smiles>CSCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-methionine and L-glutamine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CSCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>CSCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-methionine and L-tryptophan residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-phenylalanine and L-glutamic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(O)=O</smiles> <smiles>N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(O)=O</smiles> is A tripeptide composed of one L-phenylalanine and two glycine residues joined in sequence. It has the role of metabolite . It is also related to or classified as tripeptide  .


The molecule <smiles>Cn1c(=O)cc[nH]c1=O</smiles> <smiles>Cn1c(=O)cc[nH]c1=O</smiles> is A pyrimidone that is uracil with a methyl group at position 3. It has the role of metabolite . Its functional parent is uracil . It is also related to or classified as pyrimidone , nucleobase analogue .


The molecule <smiles>Cl.Nc1ccc2cc3ccc(N)cc3nc2c1</smiles> <smiles>Cl.Nc1ccc2cc3ccc(N)cc3nc2c1</smiles> is A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diaminoacridine and hydrogen chloride. It has the role of intercalator . It has the role of antibacterial agent . It has the role of antiseptic drug . It has the role of carcinogenic agent . It is also related to or classified as hydrochloride .


The molecule <smiles>Cl.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1</smiles> <smiles>Cl.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1</smiles> is A hydrochloride resulting from the reaction of 3,6-diaminoacridine with 2 mol eq. of hydrogen chloride. It has the role of intercalator . It has the role of antibacterial agent . It has the role of antiseptic drug . It has the role of carcinogenic agent . It is also related to or classified as hydrochloride .


The molecule <smiles>Cn1ccc(n1)C(O)=O</smiles> <smiles>Cn1ccc(n1)C(O)=O</smiles> is A member of the class of pyrazoles that is  N-methylpyrazole substituted by a carboxy group at position 3. It has the role of metabolite . Its functional parent is N-methylpyrazole . It is also related to or classified as monocarboxylic acid , pyrazoles .


The molecule <smiles>Cc1cn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)nc1N</smiles> <smiles>Cc1cn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)nc1N</smiles> is A pyrimidine ribonucleoside 5'-monophosphate having 5-methylcytosine as the nucleobase. Its functional parent is cytidine 5'-monophosphate . It is also related to or classified as pyrimidine ribonucleoside 5'-monophosphate .


The molecule <smiles>Cc1c[nH]nc1C(O)=O</smiles> <smiles>Cc1c[nH]nc1C(O)=O</smiles> is A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 4 and 3 respectively. It has the role of metabolite . It is also related to or classified as monocarboxylic acid , pyrazoles .


The molecule <smiles>Cn1cnc2n(cnc2c1=N)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> <smiles>Cn1cnc2n(cnc2c1=N)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> is A purine ribonucleoside 5'-monophosphate that is AMP monomethylated on N(1). Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as purine ribonucleoside 5'-monophosphate .


The molecule <smiles>Cl.[Cl-].C[n+]1c2cc(N)ccc2cc2ccc(N)cc12</smiles> <smiles>Cl.[Cl-].C[n+]1c2cc(N)ccc2cc2ccc(N)cc12</smiles> is A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride. It has the role of intercalator . It has the role of antibacterial agent . It has the role of antiseptic drug . It has the role of carcinogenic agent . It is also related to or classified as hydrochloride .


The molecule <smiles>CN1C(=NC=C1)C(O)=O</smiles> <smiles>CN1C(=NC=C1)C(O)=O</smiles> is an imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 1 and 2 respectively. It has the role of metabolite . It is also related to or classified as imidazolyl carboxylic acid .


The molecule <smiles>Cc1n[nH]cc1C(O)=O</smiles> <smiles>Cc1n[nH]cc1C(O)=O</smiles> is A member of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 3 and 4 respectively. It has the role of metabolite . It is also related to or classified as monocarboxylic acid , pyrazoles .


The molecule <smiles>Cc1cc(=O)[nH]c(=O)[nH]1</smiles> <smiles>Cc1cc(=O)[nH]c(=O)[nH]1</smiles> is A pyrimidone that is uracil with a methyl group at position 6. It has the role of metabolite . Its functional parent is uracil . It is also related to or classified as pyrimidone .


The molecule <smiles>Cc1cc(n[nH]1)C(O)=O</smiles> <smiles>Cc1cc(n[nH]1)C(O)=O</smiles> is A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively. It has the role of metabolite . It is also related to or classified as monocarboxylic acid , pyrazoles .


The molecule <smiles>Cn1cnc(c1)C(O)=O</smiles> <smiles>Cn1cnc(c1)C(O)=O</smiles> is 1-methyl-imidazole-4-carboxylic acid. It has the role of metabolite . It is also related to or classified as imidazolyl carboxylic acid .


The molecule <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1OC)n1ccc(N)nc1=O</smiles> <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1OC)n1ccc(N)nc1=O</smiles> is A nucleotide residue derived from 2'-O-methylcytidine 5'-monophosphate. It is a conjugate acid of 2'-O-methylcytidine 5'-monophosphate(1-) residue . It is also related to or classified as nucleotide residue .


The molecule <smiles>Cn1cc(cn1)C(O)=O</smiles> <smiles>Cn1cc(cn1)C(O)=O</smiles> is A member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group at position 4. It has the role of metabolite . Its functional parent is N-methylpyrazole . It is also related to or classified as monocarboxylic acid , pyrazoles .


The molecule <smiles>N=1C(=C(NC1)C)C(=O)O</smiles> <smiles>N=1C(=C(NC1)C)C(=O)O</smiles> is an imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 4 respectively. It has the role of metabolite . It is also related to or classified as imidazolyl carboxylic acid .


The molecule <smiles>NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> <smiles>NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-asparagine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>[H][C@]12N([C@H]3C[C@H](OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4O)n4cc(C)c(=O)[nH]c4=O)n4cc(C)c1nc4=O)[C@@H](COP(O)(=O)O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C)c(=O)[nH]c1=O)O3)C(=O)NC(=O)[C@]2(C)O</smiles> <smiles>[H][C@]12N([C@H]3C[C@H](OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4O)n4cc(C)c(=O)[nH]c4=O)n4cc(C)c1nc4=O)[C@@H](COP(O)(=O)O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C)c(=O)[nH]c1=O)O3)C(=O)NC(=O)[C@]2(C)O</smiles> is A single-stranded DNA oligonucleotide containing four consecutive thymidyl residues, T1, T2, T3 and T4, arranged in the direction from the 5'-terminus to the 3'-terminus, with a (6-4) lesion at the central T2 and T3 residues. It has the role of epitope . It is also related to or classified as single-stranded DNA oligonucleotide .


The molecule <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-phenylalanine and L-tryptophan residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A dipeptide formed from L-phenylalanine and L-proline residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(N)Cc1cnc[nH]1</smiles> <smiles>CC(N)Cc1cnc[nH]1</smiles> is an aralkylamino compound that is histamine bearing a methyl substituent at the alpha-position. It has the role of H3-receptor agonist . It has the role of animal metabolite . Its functional parent is histamine . It is also related to or classified as imidazoles , aralkylamino compound .


The molecule <smiles>OC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> <smiles>OC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-aspartic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)N(C)C</smiles> <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)N(C)C</smiles> is A nucleotide residue derived from N,N-dimethyladenosine 5'-monophosphate. It is a conjugate acid of N(6),N(6)-dimethyladenosine 5'-monophosphate(1-) residue . It is also related to or classified as nucleotide residue .


The molecule <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)[NH+](C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)[NH+](C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is A quaternary ammonium ion resulting from the protonation of the amino group of aclacinomycin T. The major species at pH 7.3. It is a conjugate acid of aclacinomycin T . It is a conjugate acid of aclacinomycin T zwitterion . It is also related to or classified as anthracycline cation .


The molecule <smiles>NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> <smiles>NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-glutamine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>Cl.CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> <smiles>Cl.CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is A hydrochloride resulting from the reaction of aclacinomycin T with an equimolar amount of hydrogen chloride. It has the role of antimicrobial agent . It has the role of antineoplastic agent . It is also related to or classified as hydrochloride .


The molecule <smiles>N=1C=C(NC1C(O)=O)C</smiles> <smiles>N=1C=C(NC1C(O)=O)C</smiles> is an  imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 2 respectively. It has the role of metabolite . It is also related to or classified as imidazolyl carboxylic acid .


The molecule <smiles>O=C1NC(=O)C(=CN1C)C</smiles> <smiles>O=C1NC(=O)C(=CN1C)C</smiles> is A pyrimidone that is uracil with methyl group substituents at positions 1 and 5. It has the role of metabolite . Its functional parent is uracil . It is also related to or classified as methylthymine .


The molecule <smiles>Cn1ccc(=O)n(C)c1=O</smiles> <smiles>Cn1ccc(=O)n(C)c1=O</smiles> is A pyrimidone that is uracil with methyl group substituents at positions 1 and 3. It has the role of metabolite . Its functional parent is uracil . It is also related to or classified as pyrimidone .


The molecule <smiles>Cc1ncc(CCN)[nH]1</smiles> <smiles>Cc1ncc(CCN)[nH]1</smiles> is an aralkylamino compound that is histamine bearing a methyl substituent at the 2 position on the ring. It has the role of metabolite . It has the role of histamine agonist . Its functional parent is histamine . It is also related to or classified as imidazoles , aralkylamino compound .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O</smiles> is A 1-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 1-acyl group is specified as stearoyl. It has the role of human metabolite . Its functional parent is octadecanoic acid . It is a conjugate acid of 1-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1-) . It is also related to or classified as 1-acyl-sn-glycero-3-phospho-D-myo-inositol  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is hexacosanoic acid having five double bonds located at positions 11, 14, 17, 20, 23 (the 11Z,14Z,17Z,20Z,23Z-isomer). It is a conjugate acid of (11Z,14Z,17Z,20Z,23Z)-hexacosapentaenoate . It is also related to or classified as omega-3 fatty acid , hexacosapentaenoic acid .


The molecule <smiles>CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)C[C@@H]([NH3+])c1ccccc1</smiles> <smiles>CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)C[C@@H]([NH3+])c1ccccc1</smiles> is an organic cation obtained by protonation of the amino group of 3'-N-debenzoyl-2'-deoxytaxol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of 3'-N-debenzoyl-2'-deoxytaxol . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is dotriacontapentaenoic acid having five double bonds located at positions 17, 20, 23, 26 and 29 (the 17Z,20Z,23Z,26Z,29Z-isomer). It is a conjugate acid of (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoate . It is also related to or classified as omega-3 fatty acid , dotriacontapentaenoic acid .


The molecule <smiles>OC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> <smiles>OC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-glutamic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)[NH+](C)C)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)[NH+](C)C)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It has the role of apoptosis inducer . It is also related to or classified as zwitterion  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is hexatriacontanoic acid having five double bonds located at positions 21, 24, 27, 30 and 33 (the 21Z,24Z,27Z,30Z,33Z-isomer). It is a conjugate acid of (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoate . It is also related to or classified as omega-3 fatty acid , hexatriacontapentaenoic acid .


The molecule <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)[NH+](C)C)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)[NH+](C)C)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin T. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has the role of antimicrobial agent . It has the role of antineoplastic agent . It is also related to or classified as zwitterion  .


The molecule <smiles>CC[C@@H]1[C@@H](C)C2=[N+]3C1=Cc1c(C)c4C(=O)[C-](C(=O)OC)C5=C6[C@@H](CCC([O-])=O)[C@H](C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2</smiles> <smiles>CC[C@@H]1[C@@H](C)C2=[N+]3C1=Cc1c(C)c4C(=O)[C-](C(=O)OC)C5=C6[C@@H](CCC([O-])=O)[C@H](C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2</smiles> is A cyclic tetrapyrrole anion that is obtained from 3-vinylbacteriochlorophyllide a via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as cyclic tetrapyrrole anion .


The molecule <smiles>Cc1[nH]cnc1CCN</smiles> <smiles>Cc1[nH]cnc1CCN</smiles> is an aralkylamino compound that is histamine bearing a methyl substituent at the 5 position on the ring. It has the role of metabolite . It has the role of histamine agonist . Its functional parent is histamine . It is also related to or classified as imidazoles , aralkylamino compound .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is tetratriacontapentaenoic acid having five double bonds located at positions 19, 22, 25 ,28 and 31 (the 19Z,22Z,25Z,28Z,31Z-isomer). It is a conjugate acid of (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoate . It is also related to or classified as omega-3 fatty acid , tetratriacontapentaenoic acid .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain monounsaturated fatty acid that is hexacosanoic acid having a double bond at position 17 (the Z-isomer). It has the role of human metabolite . It is a conjugate acid of (17Z)-hexacosenoate . It is also related to or classified as hexacosenoic acid .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-6 fatty acid that is octacosanoic acid having four double bonds located at positions 13, 16, 19, 22 (the 13Z,16Z,19Z,22Z-isomer). It is a conjugate acid of (13Z,16Z,19Z,22Z)-octacosatetraenoate . It is also related to or classified as omega-6 fatty acid , octacosatetraenoic acid .


The molecule <smiles>CC(C)(Oc1ccc(cc1)[C@H]1CCCc2ccccc12)C(O)=O</smiles> <smiles>CC(C)(Oc1ccc(cc1)[C@H]1CCCc2ccccc12)C(O)=O</smiles> is A 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid that has R configuration at the chiral centre. It is also related to or classified as 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid  .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCC(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-6 fatty acid that is triacontanoic acid having four double bonds located at positions 15, 18, 21 and 24 (the 15Z,18Z,21Z,24Z-isomer). It is a conjugate acid of (15Z,18Z,21Z,24Z)-triacontatetraenoate . It is also related to or classified as omega-6 fatty acid , triacontatetraenoic acid .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)=O</smiles> is A very long-chain omega-6 fatty acid that is tetracosanoic acid having four double bonds located at positions 11, 14, 17 and 20 (the 11Z,14Z,17Z,20Z-isomer). It is a conjugate acid of (11Z,14Z,17Z,20Z)-hexacosatetraenoate . It is also related to or classified as omega-6 fatty acid , hexacosatetraenoic acid .


The molecule <smiles>C1(C(=O)N)=CN([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H]([C@H]2O)O)C=CC1</smiles> <smiles>C1(C(=O)N)=CN([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H]([C@H]2O)O)C=CC1</smiles> is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of NMNH; major species at pH 7.3. Its functional parent is NMN(+) . It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>CCCCCCCCCCCC(O)CC(=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(O)CC(=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 3-hydroxy fatty acyl-CoA(4-) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxytetradecanoyl-CoA; major species at pH 7.3. It is also related to or classified as 3-hydroxy fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  . It is also related to or classified as 11,12-saturated fatty acyl-CoA(4-)  .


The molecule <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)n(C)c1=O</smiles> <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)n(C)c1=O</smiles> is A nucleotide residue derived from N(3)-methyluridine 5'-monophosphate. It is a conjugate acid of N(3)-methyluridine 5'-monophosphate(1-) residue . It is also related to or classified as nucleotide residue .


The molecule <smiles>CC(C)(Oc1ccc(cc1)[C@@H]1CCCc2ccccc12)C(O)=O</smiles> <smiles>CC(C)(Oc1ccc(cc1)[C@@H]1CCCc2ccccc12)C(O)=O</smiles> is A 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid that has S configuration at the chiral centre. It is also related to or classified as 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is octacosanoic acid having five double bonds located at positions 13, 16, 19, 22 and 25 (the 13Z,16Z,19Z,22Z,25Z-isomer). It is a conjugate acid of (13Z,16Z,19Z,22Z,25Z)-octacosapentaenoate . It is also related to or classified as omega-3 fatty acid , octacosapentaenoic acid .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-6 fatty acid that is tetracosanoic acid having four double bonds located at positions 17, 20, 23 and 26 (the 17Z,20Z,23Z,26Z-isomer). It is a conjugate acid of (17Z,20Z,23Z,26Z)-dotriacontatetraenoate . It is also related to or classified as omega-6 fatty acid , dotriacontatetraenoic acid .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-6 fatty acid that is tetratriacontanoic acid having four double bonds located at positions 19, 22, 25 and 28 (the 15Z,18Z,21Z,24Z-isomer). It is a conjugate acid of (19Z,22Z,25Z,28Z)-tetratriacontatetraenoate . It is also related to or classified as ultra-long-chain fatty acid  . It is also related to or classified as omega-6 fatty acid .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-6 fatty acid that is hexatriacontanoic acid having four double bonds located at positions 21, 24, 27 and 30 (the 21Z,24Z,27Z,30Z-isomer). It is a conjugate acid of (21Z,24Z,27Z,30Z)-hexatriacontatetraenoate .   It is also related to or classified as ultra-long-chain fatty acid  . It is also related to or classified as omega-6 fatty acid , hexatriacontatetraenoic acid .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1-acyl-2-oleoyl-sn-glycerol-3-phosphate(2-) in which the 1-acyl group is also oleoyl. It is a conjugate acid of 1,2-dioleoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as dioleoyl phosphatidic acid  . It is also related to or classified as 1-acyl-2-oleoyl-sn-glycero-3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> is A 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate in which the 1-acyl group is specified as oleoyl (9Z-octadecaenoyl). Its functional parent is oleic acid . It is a conjugate acid of 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as linolenoyl (9Z,12Z,15Z-octadecatrienoyl). Its functional parent is alpha-linolenic acid . It is a conjugate acid of 1-linolenoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(O)=O</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(O)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as linoleoyl and oleoyl respectively. Its functional parent is oleic acid . Its functional parent is linoleic acid . It is a conjugate acid of 1-linoleoyl-2-oleoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(O)=O</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(O)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as linolenoyl and oleoyl respectively. Its functional parent is oleic acid . Its functional parent is alpha-linolenic acid . It is a conjugate acid of 1-linolenoyl-2-oleoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and linoleoyl respectively. Its functional parent is oleic acid . Its functional parent is linoleic acid . It is a conjugate acid of 1-oleoyl-2-linoleoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


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


The molecule <smiles>CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and pentadecanoyl respectively. Its functional parent is oleic acid . Its functional parent is pentadecanoic acid . It is a conjugate acid of 1-oleoyl-2-pentadecanoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> is A 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate in which the 1-acyl group is specified as oleoyl (9Z-octadecaenoyl). Its functional parent is oleic acid . It is a conjugate acid of 1-oleoyl-2-stearoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and heptadecanoyl respectively. Its functional parent is oleic acid . Its functional parent is heptadecanoic acid . It is a conjugate acid of 1-oleoyl-2-heptadecanoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as stearoyl (octadecanoyl). It has the role of metabolite . Its functional parent is octadecanoic acid . It is a conjugate acid of 1-stearoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and tetradecanoyl respectively. Its functional parent is oleic acid . It is a conjugate acid of 1-oleoyl-2-myristoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as heptadecanoyl and oleoyl respectively. Its functional parent is oleic acid . Its functional parent is heptadecanoic acid . It is a conjugate acid of 1-heptadecanoyl-2-oleoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as gamma-linolenoyl (6Z,9Z,12Z-octadecatrienoyl). Its functional parent is gamma-linolenic acid . It is a conjugate acid of gamma-linolenoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is triacontahexaenoic acid having six double bonds located at positions 12, 15, 18, 21, 24 and 27 (the 12Z,15Z,18Z,21Z,24Z,27Z-isomer). It is a conjugate acid of (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoate . It is also related to or classified as omega-3 fatty acid , triacontahexaenoic acid .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(O)=O</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(O)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as gamma-linolenoyl and oleoyl respectively. Its functional parent is gamma-linolenic acid . It is a conjugate acid of 1-(gamma-linolenoyl)-2-oleoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as oleic acid  . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is hexacosanoic acid having six double bonds located at positions 8, 11, 14, 17, 20, 23 (the 8Z,11Z,14Z,17Z,20Z,23Z-isomer). It is a conjugate acid of (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoate . It is also related to or classified as omega-3 fatty acid , hexacosahexaenoic acid .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as icosanoyl (arachidoyl) and oleoyl respectively. Its functional parent is oleic acid . Its functional parent is icosanoic acid . It is a conjugate acid of 1-icosanoyl-2-oleoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCC(O)=O</smiles> is an omega-3 fatty acid that is tetratriacontahexaenoic acid having six double bonds located at positions 16, 19, 22, 25 ,28 and 31 (the 16Z,19Z,22Z,25Z,28Z,31Z-isomer). It is a conjugate acid of (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoate .   It is also related to or classified as ultra-long-chain fatty acid  . It is also related to or classified as omega-3 fatty acid , tetratriacontahexaenoic acid .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as icosanoyl (arachidoyl). Its functional parent is icosanoic acid . It is a conjugate acid of 1-icosanoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CCCCCCCCC\C=C/CCCCC(O)=O</smiles> <smiles>CCCCCCCCC\C=C/CCCCC(O)=O</smiles> is A hexadecenoic acid in which the double bond is located at position 6 (the Z-geoisomer). A major component of human sebaceous lipids that is involved in skin self-sterilisation and atopic dermatitis amelioration. It has the role of metabolite . It has the role of antibacterial agent . It has the role of antipsoriatic . It is a conjugate acid of sapienate . It is also related to or classified as hexadecenoic acid .


The molecule <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O</smiles> <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O</smiles> is A purine ribonucleoside 2'-monophosphate having guanine as the nucleobase. It has the role of EC 3.1.27.3 (ribonuclease T1) inhibitor . It is a conjugate acid of guanosine 2'-monophosphate(2-) . It is also related to or classified as purine ribonucleoside 2'-monophosphate .


The molecule <smiles>NCCSP(O)(O)=O</smiles> <smiles>NCCSP(O)(O)=O</smiles> is an organic thiophosphate that is the S-phospho derivative of cysteamine. Its functional parent is cysteamine . It is a conjugate acid of cysteamine S-phosphate(1-) . It is also related to or classified as organic thiophosphate , primary amino compound .


The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as myristoyl and oleoyl respectively. Its functional parent is oleic acid . It is a conjugate acid of 1-myristoyl-2-oleoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCC\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>CCCCCCCCCCCCCCCCC\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 trans-2-icosenoic acid. It is a conjugate acid of trans-2-icosenoyl-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>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC(=O)CC(=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/CCCCCCCC(=O)CC(=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 (11Z,14Z,17Z,20Z,23Z)-3-oxohexacosapentaenoic acid. It is a conjugate acid of (11Z,14Z,17Z,20Z,23Z)-3-oxohexacosapentaenoyl-CoA(4-) . It is also related to or classified as 3-oxo-fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA , very long-chain fatty acyl-CoA .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is dotriacontapentaenoic acid having six double bonds located at positions 14, 17, 20, 23, 26 and 29 (the 14Z,17Z,20Z,23Z,26Z,29Z-isomer). It is a conjugate acid of (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoate . It is also related to or classified as omega-3 fatty acid , dotriacontahexaenoic acid .


The molecule <smiles>CCCCCCCCCCCCCCCCCCC\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>CCCCCCCCCCCCCCCCCCC\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 trans-2-docosenoic acid. It is a conjugate acid of trans-2-docosenoyl-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>[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as octadecanoyl and (9Z)-hexadecenoyl respectively. Its functional parent is palmitoleic acid . Its functional parent is octadecanoic acid . It is a conjugate acid of 1-octadecanoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>[Na+].COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O</smiles> <smiles>[Na+].COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O</smiles> is an organic sodium salt consisting of equimolar amounts of naproxen(1-) anions and sodium anions. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of antipyretic . It has the role of cyclooxygenase 2 inhibitor . It has the role of cyclooxygenase 1 inhibitor . It is also related to or classified as organic sodium salt .


The molecule <smiles>[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> <smiles>[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as (9Z)-octadecenoyl and (9Z)-hexadecenoyl respectively. Its functional parent is oleic acid . Its functional parent is palmitoleic acid . It is a conjugate acid of 1-(9Z)-octadecenoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(O)=O</smiles> <smiles>[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as palmitoleoyl. Its functional parent is palmitoleic acid . It is a conjugate acid of 1-palmitoleoyl-sn-glycerol 3-phosphate(2-) . It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate  .


The molecule <smiles>COc1cc(\C=C\C(=O)\C=C\c2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)ccc1O</smiles> <smiles>COc1cc(\C=C\C(=O)\C=C\c2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)ccc1O</smiles> is A dicarboximide that is  thalidomide substituted at position 5 by an ethenyl group, which in turn is substituted by a feruloyl group at position 2. The compound is a hybrid based on the structures of  thalidomide and curcumin and has been found to exhibit cytotoxicity against human multiple myeloma cells. It has the role of antineoplastic agent . Its functional parent is thalidomide .  It is also related to or classified as phenols  . It is also related to or classified as dicarboximide  .   It is also related to or classified as enone  . It is also related to or classified as isoindoles , aromatic ether , piperidones .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCC\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>CCCCCCCCCCCCCCCCCCCCC\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 trans-2-tetracosenoic acid. It is a conjugate acid of trans-2-tetracosenoyl-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 , very long-chain fatty acyl-CoA .


The molecule <smiles>[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles> <smiles>[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles> is an aluminium sulfate that contains no water of crystallisation. It is also related to or classified as aluminium sulfate .


The molecule <smiles>[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> <smiles>[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are both (9Z)-hexadecenoyl (palmitoleoyl). Its functional parent is palmitoleic acid . It is a conjugate acid of 1,2-di-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>O=C1N(C(=O)C(=CN1)C)C</smiles> <smiles>O=C1N(C(=O)C(=CN1)C)C</smiles> is A pyrimidone that is uracil with methyl group substituents at positions 3 and 5. It has the role of metabolite . Its functional parent is uracil . It is also related to or classified as methylthymine , pyrimidone .


The molecule <smiles>O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles> <smiles>O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles> is A hydrate resulting from the the formal combination of anhydrous aluminium sulfate with approximately 16 mol eq. of water. It is one of the commonest hydrates of aluminium sulfate. It is also related to or classified as hydrate , aluminium sulfate .


The molecule <smiles>Cc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1</smiles> <smiles>Cc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1</smiles> is A tetrahydroxyflavone having the hydroxy groups are located at positions 3', 4', 5 and 7 as well as an additional methyl substituent at position 3. It is also related to or classified as 3'-hydroxyflavonoid  . It is also related to or classified as tetrahydroxyflavone  .


The molecule <smiles>COC(=O)C(C)O</smiles> <smiles>COC(=O)C(C)O</smiles> is A lactate ester resulting from the formal condensation of the carboxy group of 2-hydroxypropanoic acid with methanol. It has the role of metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as lactate ester  .


The molecule <smiles>O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(CNCC(O)=O)c(=O)[nH]c1=O</smiles> <smiles>O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(CNCC(O)=O)c(=O)[nH]c1=O</smiles> is A pyrimidine ribonucleoside 5'-monophosphate having 5-carboxymethylaminouracil as the nucleobase. Its functional parent is uridine 5'-monophosphate . It is also related to or classified as glycine derivative , pyrimidine ribonucleoside 5'-monophosphate .


The molecule <smiles>O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles> <smiles>O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles> is A hydrate resulting from the the formal combination of anhydrous aluminium sulfate with approximately 18 mol eq. of water. The commercial product usually contains 5-10% less water than theory. It is one of the commonest hydrates of aluminium sulfate. It is also related to or classified as hydrate , aluminium sulfate .


The molecule <smiles>COc1cc(\C=C\C(=O)C(=Cc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O</smiles> <smiles>COc1cc(\C=C\C(=O)C(=Cc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O</smiles> is A dicarboximide that is thalidomide substituted at position 5 by an ethenyl group, which in turn is substituted by two feruloyl groups at position 2. The compound is a hybrid based on the structures of thalidomide and curcumin and has been found to exhibit cytotoxicity against human multiple myeloma cells. It has the role of antineoplastic agent . Its functional parent is curcumin . Its functional parent is thalidomide .   It is also related to or classified as dicarboximide  .   It is also related to or classified as enone  . It is also related to or classified as isoindoles , polyphenol , aromatic ether , piperidones , beta-diketone .


The molecule <smiles>Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> <smiles>Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> is A purine ribonucleoside 5'-monophosphate having 8-methyladenine as the nucleobase. Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as purine ribonucleoside 5'-monophosphate .


The molecule <smiles>CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1</smiles> <smiles>CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1</smiles> is naratriptan. It has the role of serotonergic agonist . It has the role of vasoconstrictor agent .  It is also related to or classified as sulfonamide  . It is also related to or classified as tryptamines , heteroarylpiperidine .


The molecule <smiles>O=S1(=O)CCCC1</smiles> <smiles>O=S1(=O)CCCC1</smiles> is A member of the class of tetrahydrothiophenes that is tetrahydrothiophene in which the sulfur has been oxidised to give the corresponding sulfone. A colourless, high-boiling (285degreeC) liquid that is miscible with both water and hydrocarbons, it is used as an industrial solvent, particularly for the purification of hydrocarbon mixtures by liquid-vapour extraction. It has the role of polar aprotic solvent . It is also related to or classified as sulfone  . It is also related to or classified as tetrahydrothiophenes .


The molecule <smiles>CO[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cc(CNCC(O)=O)c(=O)[nH]c1=O</smiles> <smiles>CO[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cc(CNCC(O)=O)c(=O)[nH]c1=O</smiles> is A pyrimidine ribonucleoside 5'-monophosphate that is the  5-carboxymethylaminomethyl-2'-O-methyl derivative of uridine 5'-monophosphate. Its functional parent is uridine 5'-monophosphate . It is also related to or classified as glycine derivative , pyrimidine ribonucleoside 5'-monophosphate .


The molecule <smiles>NCCCC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> <smiles>NCCCC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-lysine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>NCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> <smiles>NCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> is A mannooligosaccharide derivative consisting of four D-mannose residues linked sequentially alpha(1->2), alpha(1->2) and alpha(1->3), the reducing-end residue of which is beta-linked to a 5-aminopentyl group. It is also related to or classified as mannooligosaccharide derivative .


The molecule <smiles>OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1</smiles> <smiles>OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1</smiles> is A dipeptide formed from L-proline and L-phenylalanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1</smiles> <smiles>OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1</smiles> is A dipeptide formed from L-proline and L-tryptophan residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>Nc1c2ccccc2[nH+]c2ccccc12</smiles> <smiles>Nc1c2ccccc2[nH+]c2ccccc12</smiles> is an acridinium ion resulting from the protonation of the ring nitrogen of 9-aminoacridine. The major species at pH 7.3. It is a conjugate acid of 9-aminoacridine . It is also related to or classified as acridinium ion .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-leucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>Nc1c2ccccc2nc2ccccc12</smiles> <smiles>Nc1c2ccccc2nc2ccccc12</smiles> is an aminoacridine that is acridine in which the hydrogen at position 9 is replaced by an amino group. A fluorescent dyd and topical antiseptic agent, it is used (usually as the hydrochloride salt) in eye drops for the treatment of superficial eye infections. It has the role of mutagen . It has the role of antiinfective agent . It has the role of antiseptic drug . It has the role of acid-base indicator . It has the role of fluorescent dye . It has the role of MALDI matrix material . It is also related to or classified as primary amino compound , aminoacridines .


The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-isoleucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>OC(=O)c1c(O)[nH]c2ccccc2c1=O</smiles> <smiles>OC(=O)c1c(O)[nH]c2ccccc2c1=O</smiles> is A quinolone that is 4-quinolone substituted at positions 2 and 3 by hydroxy and carboxy groups respectively. It is also related to or classified as quinolone , quinolinemonocarboxylic acid , hydroxyquinoline .


The molecule <smiles>N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> <smiles>N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-serine and L-asparagine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-valine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@H](NC(=O)[C@@H](N)CO)C(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@@H](N)CO)C(O)=O</smiles> is A dipeptide formed from L-serine and L-alanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> <smiles>N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-serine and L-glutamine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>COC[C@H](N)C(O)=O</smiles> <smiles>COC[C@H](N)C(O)=O</smiles> is A serine derivative that is L-serine with a methyl group replacing the hydrogen on the hydroxy side chain. It has the role of metabolite . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-serine derivative .


The molecule <smiles>[H]C(=NN1CC(CN2CCOCC2)OC1=O)c1ccc(o1)[N+]([O-])=O</smiles> <smiles>[H]C(=NN1CC(CN2CCOCC2)OC1=O)c1ccc(o1)[N+]([O-])=O</smiles> is an oxazolidinone that is 1,3-oxazolidin-2-one substituted at position 1 by a (5-nitro-2-furyl)methylene]amino group and at position 5 by a morpholin-4-ylmethyl group. An antibacterial formerly used oraly but withdrawn due to toxicity, it is used topically (as the hydrochloride salt) for treatment of ear disorders. It has the role of antibacterial drug . It is also related to or classified as furans , C-nitro compound , morpholines , oxazolidinone .


The molecule <smiles>N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-serine and L-glutamic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>[H]C(=O)c1c[nH]c2ccccc2c1=O</smiles> <smiles>[H]C(=O)c1c[nH]c2ccccc2c1=O</smiles> is A quinolone that is 4-quinolone substituted at position 3 by a formyl group. It is also related to or classified as aldehyde  . It is also related to or classified as quinolone .


The molecule <smiles>NCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> <smiles>NCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> is A mannooligosaccharide derivative consisting of a chain of three D-mannose residues linked sequentially alpha(1->2) and alpha(1->3), with an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl unit linked (1->6) to the mannose residue at the reducing end, this reducing-end residue also being beta-linked to a 5-aminopentyl group. It is also related to or classified as mannooligosaccharide derivative .


The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O</smiles> is an anthocyanidin 3-O-beta-D-sambubioside having cyanidin as the anthocyanidin component. It has the role of metabolite . Its functional parent is cyanidin cation . It is also related to or classified as anthocyanidin 3-O-beta-D-sambubioside  .


The molecule <smiles>OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1</smiles> <smiles>OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1</smiles> is A dipeptide formed from L-proline and L-tyrosine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O</smiles> is an anthocyanidin 3-O-beta-D-sambubioside having pelargonidin as the anthocyanidin component. It has the role of metabolite . Its functional parent is pelargonidin . It is also related to or classified as anthocyanidin 3-O-beta-D-sambubioside  .


The molecule <smiles>N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-serine and L-aspartic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O</smiles> is an anthocyanidin 3-O-beta-D-sambubioside having delphinidin as the anthocyanidin component. It has the role of metabolite . It has the role of apoptosis inducer . Its functional parent is delphinidin . It is also related to or classified as anthocyanidin 3-O-beta-D-sambubioside  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(O)=O</smiles> is A dipeptide formed from L-serine and L-leucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CSCC[C@H](NC(=O)[C@@H](N)CO)C(O)=O</smiles> <smiles>CSCC[C@H](NC(=O)[C@@H](N)CO)C(O)=O</smiles> is A dipeptide formed from L-serine and L-methionine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-alanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-arginine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CCC(N)(O)C(O)=O</smiles> <smiles>CCC(N)(O)C(O)=O</smiles> is an  alpha-amino acid that is butanoic acid substituted by an amino and a hydroxy group at position 2. It has the role of metabolite . Its functional parent is butyric acid . It is also related to or classified as non-proteinogenic alpha-amino acid .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CO)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CO)C(O)=O</smiles> is A dipeptide formed from L-serine and L-valine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A dipeptide formed from L-serine and L-proline residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCN)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCN)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC</smiles> is A cardiolipin derivative in which three of the phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl) with the fourth being 12-aminolauroyl (12-aminododecanoyl). It is a conjugate acid of 12-aminolauroyl tripalmitoyl cardiolipin(2-) . It is also related to or classified as cardiolipin  .


The molecule <smiles>NCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> <smiles>NCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> is A mannooligosaccharide derivative consisting of a D-mannosyl residue beta-linked to a 5-aminopentyl group and which carries two alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl units linked (1->3) and (1->6). It is also related to or classified as mannooligosaccharide derivative .


The molecule <smiles>N[C@@H](CO)C(=O)NCC(O)=O</smiles> <smiles>N[C@@H](CO)C(=O)NCC(O)=O</smiles> is A dipeptide formed from L-serine and glycine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>[NH4+].[NH4+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H](O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCCCCCCN)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>[NH4+].[NH4+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H](O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCCCCCCN)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC</smiles> is the ammonium salt formed from association of two ammonium cations with the dianion of 12-aminolauroyl tripalmitoyl cardiolipin. It is also related to or classified as organic ammonium salt , ammonium salt .


The molecule <smiles>NCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> <smiles>NCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> is A mannooligosaccharide derivative consisting of a D-mannosyl residue beta-linked to a 5-aminopentyl group and which carries an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl unit linked (1->3) and an alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl unit linked (1->6). It is also related to or classified as mannooligosaccharide derivative .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H](O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCCCCCCN)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H](O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCCCCCCN)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC</smiles> is an organophosphate oxoanion resulting from deprotonation of the two phosphate OH groups of 12-aminolauroyl tripalmitoyl cardiolipin. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>N[C@@H](COC(=O)C=[N+]=[N-])C(O)=O</smiles> <smiles>N[C@@H](COC(=O)C=[N+]=[N-])C(O)=O</smiles> is A carboxylic ester resulting from the formal condensation of the carboxy group of diazoacetic acid with the alcoholic hydroxy group of L-serine. An antibiotic produced by a Streptomyces species. It has the role of glutamine antagonist . It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antimetabolite . It has the role of antineoplastic agent . It has the role of immunosuppressive agent . It has the role of antifungal agent . It is also related to or classified as carboxylic ester  . It is also related to or classified as diazo compound , non-proteinogenic L-alpha-amino acid , L-serine derivative .


The molecule <smiles>NCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> <smiles>NCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> is A mannooligosaccharide derivative consisting of a D-mannosyl residue beta-linked to a 5-aminopentyl group and which carries an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl unit linked (1->3) and an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl unit linked (1->6). It is also related to or classified as mannooligosaccharide derivative .


The molecule <smiles>OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O</smiles> is an organic heterotricyclic compound resulting from the formal condensation of the oxo group of cytidine to the 2' position with loss of water to give the corresponding cyclic ether. A prodrug, it is metabolised to the antineoplastic agent cytarabine, so is used to maintain a more constant antineoplastic action. It has the role of antimetabolite . It has the role of antineoplastic agent . It has the role of prodrug . It is also related to or classified as diol  . It is also related to or classified as organic heterotricyclic compound .


The molecule <smiles>NCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> <smiles>NCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O</smiles> is A mannooligosaccharide derivative consisting of a D-mannosyl residue beta-linked to a 5-aminopentyl group and which carries an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl unit linked (1->3) and an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl unit linked (1->6). It is also related to or classified as mannooligosaccharide derivative .


The molecule <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C</smiles> <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C</smiles> is an anionic phospholipid that is the conjugate base of 2,3-bis-O-phytanyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic; major species at pH 7.3. It is also related to or classified as 2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid anion  . It is also related to or classified as anionic phospholipid .


The molecule <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-glutamine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>Cl.Nc1c2ccccc2nc2ccccc12</smiles> <smiles>Cl.Nc1c2ccccc2nc2ccccc12</smiles> is A hydrochloride salt resulting from the reaction of equimolar amounts of 9-aminoacridine and hydrogen chloride. It has the role of mutagen . It has the role of antiinfective agent . It has the role of antiseptic drug . It is also related to or classified as hydrochloride .


The molecule <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-glutamic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>[H][C@]12CS[C@@H](CCCCC(=O)NCCSSCCC(=O)NCCCOCCOCCOCCCNC(=O)COCCOCCOCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)Cc3ccccc3)[C@@]1([H])NC(=O)N2</smiles> <smiles>[H][C@]12CS[C@@H](CCCCC(=O)NCCSSCCC(=O)NCCCOCCOCCOCCCNC(=O)COCCOCCOCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)Cc3ccccc3)[C@@]1([H])NC(=O)N2</smiles> is an organic disulfide that is L-685,458 in which the C-terminal amide group is coupled to a biotin moiety via a long linker containing the disulfide group. It has the role of EC 3.4.23.46 (memapsin 2) inhibitor . Its functional parent is biotin . Its functional parent is L-685,458 .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organic disulfide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as polyether  . It is also related to or classified as carbamate ester .


The molecule <smiles>C[C@@H](O)[C@H](N)C(=O)NCC(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)NCC(O)=O</smiles> is A dipeptide formed from L-threonine and glycine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O</smiles> is A peptide and carboxamide that is L-leucyl-L-phenylalaninamide, L-Leu-L-Phe-NH2, which has been acylated on the N-terminus by a Phe-Phe hydroxyethylene dipeptide isotere,  2R-benzyl-5S-tert-butoxycarbonylamino-4R-hydroxy-6-phenylhexanoic acid. Compounds based on the structure of L-685,458 are potent inhibitors of gamma-secretase, which mediates the final catalytic step that generates the amyloid beta-peptide (Abeta), which assembles into the neurotoxic aggregates in the brains of sufferers of Alzheimer's disease. It has the role of peptidomimetic . It has the role of EC 3.4.23.46 (memapsin 2) inhibitor . It is also related to or classified as peptide  .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as carbamate ester .


The molecule <smiles>Cl[Sb](Cl)Cl</smiles> <smiles>Cl[Sb](Cl)Cl</smiles> is an inorganic chloride salt with formula SbCl3. It is used as a reagent for detecting vitamin A and related carotenoids, reacting with the carotenoid to form a blue complex that can be measured by colorimetry (the Carr-Price test). Solutions of antimony trichloride were formerly used for dissolving and removing horn stubs from calves and goats. It has the role of Lewis acid . It has the role of colorimetric reagent . It has the role of apoptosis inducer . It is also related to or classified as inorganic chloride , antimony molecular entity .


The molecule <smiles>Cl.OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O</smiles> <smiles>Cl.OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O</smiles> is A hydrochloride salt resulting from the reaction of equimolar amounts of ancitabine and hydrogen chloride. It has the role of antimetabolite . It has the role of antineoplastic agent . It is also related to or classified as hydrochloride .


The molecule <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-aspartic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-arginine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(O)=O</smiles> <smiles>CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-methionine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>[H+].OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O</smiles> <smiles>[H+].OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O</smiles> is an organic cation resulting from the protonation of one of the nitrogens of ancitabine. It is a conjugate acid of ancitabine . It is also related to or classified as organic cation .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-leucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O</smiles> is A methyl glycoside that is beta-D-xylose in which the hydrogen of the anomeric hydroxy group is replaced by a methyl group. Its functional parent is beta-D-xylose . It is also related to or classified as methyl glycoside , xylose derivative .


The molecule <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is A dipeptide formed from L-threonine and L-phenylalanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-leucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>NCCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>NCCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-lysine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3OCOc3c(O)c1C2</smiles> <smiles>[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3OCOc3c(O)c1C2</smiles> is an organic heterotetracyclic compound that is alpha-peltatin in which the phenolic hydroxy group of the 4-hydroxy-3,5-dimethoxyphenyl substitutent had been converted into the corresponding methyl ether. It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is alpha-peltatin . It is also related to or classified as lignan  . It is also related to or classified as phenols  . It is also related to or classified as gamma-lactone  . It is also related to or classified as furonaphthodioxole  . It is also related to or classified as organic heterotetracyclic compound .


The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(O)=O</smiles> <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(O)=O</smiles> is A dipeptide formed from L-tryptophan and glycine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-valine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-glutamic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from two L-tryptophan residues. It has the role of Mycoplasma genitalium metabolite . Its functional parent is L-tryptophan . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-aspartic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(O)(=O)OC[C@H](N)C(O)=O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C</smiles> <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(O)(=O)OC[C@H](N)C(O)=O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C</smiles> is A glycerophosphoserine that is L-serine in which the side-chain is substituted by an archaetidyl group. It is a conjugate acid of 2,3-bis-O-phytanyl-sn-glycero-3-phospho-L-serine(1-) . It is also related to or classified as ether lipid , L-serine derivative .


The molecule <smiles>CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1</smiles> <smiles>CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1</smiles> is A member of the class of sulfamides that is sulfamide in which the hydrogens attached to one of the nitrogens are replaced by methyl groups, while those attached to the other nitrogen are replaced by a phenyl and a [dichloro(fluoro)methyl]sulfanediyl group. A fungicide introduced in 1965 and used in the cultivation of fruit and vegetables, as well as in wood preservatives, it is no longer approved for use in the European Union. It has the role of acaricide . It has the role of antifungal agrochemical . Its functional parent is sulfamide . It is also related to or classified as organochlorine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as phenylsulfamide fungicide , sulfamides .


The molecule <smiles>[H][C@@]12C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(O)=O)[C@]([H])(C[C@@H](O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)\C=C\C=C\C=C\C=C\C[C@@H](C)OC(=O)\C=C\[C@H]1O2)O3</smiles> <smiles>[H][C@@]12C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(O)=O)[C@]([H])(C[C@@H](O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)\C=C\C=C\C=C\C=C\C[C@@H](C)OC(=O)\C=C\[C@H]1O2)O3</smiles> is A macrolide antibiotic that has formula C33H47NO13, produced by several Streptomyces species including Streptomyces natalensis. It exhibits broad spectrum antifungal activity and used in eye drops, and as a food preservative, and also as a postharvest biofungicide for citrus and other fruit crops. It has the role of antimicrobial food preservative . It has the role of ophthalmology drug . It has the role of apoptosis inducer . It has the role of bacterial metabolite . It has the role of antifungal agrochemical .   It is also related to or classified as epoxide  . It is also related to or classified as macrolide antibiotic , polyene antibiotic , dicarboxylic acid monoester , monosaccharide derivative , antibiotic antifungal drug .


The molecule <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1cc(CC(O)=O)c(=O)[nH]c1=O</smiles> <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1cc(CC(O)=O)c(=O)[nH]c1=O</smiles> is A nucleotide residue derived from 5-(carboxymethyl)uridine 5'-monophosphate. It is a conjugate acid of 5-(carboxymethyl)uridine 5'-monophosphate(2-) residue . It is also related to or classified as nucleotide residue .


The molecule <smiles>N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-tyrosine and L-glutamic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)OC1NCC(O)=O</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)OC1NCC(O)=O</smiles> is an N-glycosylated glycine in which the saccharide component is the branched decasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc. It is also related to or classified as N-glycosylated glycine .


The molecule <smiles>CCCCCCCCCCCCNC(N)=N</smiles> <smiles>CCCCCCCCCCCCNC(N)=N</smiles> is A member of the class of guanidines that is guanidine in which one of the amino groups is substituted by a dodecyl group. It is used (generally as its acetate salt, known as dodine) as a agrochemical fungicide. It has the role of antibacterial agent . It has the role of antifungal agrochemical . It is also related to or classified as guanidines , aliphatic nitrogen antifungal agent .


The molecule <smiles>C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide formed from L-tyrosine and L-alanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)OC1NCC(O)=O</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)OC1NCC(O)=O</smiles> is an N-glycosylated glycine in which the saccharide component is the branched undecasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc. Its functional parent is Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc . It is also related to or classified as N-glycosylated glycine .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)OC1NCC(O)=O</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)OC1NCC(O)=O</smiles> is an N-glycosylated glycine in which the saccharide component is the branched nonasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc. It is also related to or classified as N-glycosylated glycine .


The molecule <smiles>N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> <smiles>N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-tyrosine and L-glutamine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-tyrosine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-phenylalanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and linoleoyl respectively. Its functional parent is oleic acid . Its functional parent is linoleic acid . It is a conjugate acid of 1-oleoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine(1-) . It is also related to or classified as phosphatidylserine(18:1/18:2)  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A phosphatidylserine 36:3 that is the conjugate base of 1-oleoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. It is also related to or classified as phosphatidylserine 36:3(1-)  . It is also related to or classified as 1-acyl-2-linoleoyl-sn-glycero-3-phosphoserine(1-)  .


The molecule <smiles>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCC\N=C/[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO)OCCCCCCCCCCCCCCCC</smiles> <smiles>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCC\N=C/[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO)OCCCCCCCCCCCCCCCC</smiles> is an N-glycosylated dialkylglycerophosphoethanolamine in which the dialkylglycerophosphoethanolamine is 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine and the glycosylating saccharide is the branched decasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc, the GlcNAc residue at the reducing end of which is in the ring-opened form. It has the role of neoglycolipid probe . Its functional parent is 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine . It is also related to or classified as N-glycosylated dialkylglycerophosphoethanolamine .


The molecule <smiles>CCCCCCCCCCCCNC(N)=[NH2+]</smiles> <smiles>CCCCCCCCCCCCNC(N)=[NH2+]</smiles> is A guanidinium ion resulting from the protonation of the imino nitrogen of 1-dodecylguanidine. The major species at pH 7.3. It is a conjugate acid of 1-dodecylguanidine . It is also related to or classified as guanidinium ion  .


The molecule <smiles>CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(C)(O)=O)n1ccc(=N)n(C)c1=O</smiles> <smiles>CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(C)(O)=O)n1ccc(=N)n(C)c1=O</smiles> is A nucleotide residue derived from N(3)-methylcytidine 5'-monophosphate. It is a conjugate acid of N(3)-methylcytidine 5'-monophosphate(1-) residue . It is also related to or classified as nucleotide residue .


The molecule <smiles>Cl[223Ra]Cl</smiles> <smiles>Cl[223Ra]Cl</smiles> is A radium molecular entity with formula (223)RaCl2. Used as as a radiotherapeutic agent for the treatment of patients with castration-resistant prostate cancer, symptomatic bone metastases and no known visceral metastatic disease. An alpha-emitter, radium-223 has a half-life of 11.4 days. It has the role of radiopharmaceutical . It has the role of antineoplastic agent . It is also related to or classified as isotopically modified compound , inorganic chloride , radium molecular entity .


The molecule <smiles>CC(O)=O.CCCCCCCCCCCCNC(N)=N</smiles> <smiles>CC(O)=O.CCCCCCCCCCCCNC(N)=N</smiles> is an acetate salt resulting from the reaction of equimolar amounts of 1-dodecylguanidine and acetic acid. It is used as a fungicide to control black spot and foliar diseases on apples, pears, peaches, nectarines and strawberries. It has the role of antibacterial agent . It has the role of antifungal agrochemical . It is also related to or classified as acetate salt , aliphatic nitrogen antifungal agent .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A phosphatidylserine 34:2 that is the conjugate base of 1-oleoyl-2-palmitoleoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. It is also related to or classified as phosphatidylserine 34:2(1-)  .


The molecule <smiles>[H][C@@]12C[C@@H](C)[C@](OC(=O)c3ccco3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C</smiles> <smiles>[H][C@@]12C[C@@H](C)[C@](OC(=O)c3ccco3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C</smiles> is A trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a 2-furoyl substituent at position 17. Used in combination with vilanterol trifenate for treatment of bronchospasm associated with chronic obstructive pulmonary disease. It has the role of anti-asthmatic drug . It has the role of prodrug . It has the role of anti-allergic agent . Its functional parent is fluticasone . It is also related to or classified as 11beta-hydroxy steroid  .     It is also related to or classified as thioester  . It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as steroid ester , fluorinated steroid , 2-furoate ester , corticosteroid .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A phosphatidylserine 38:5 that is the conjugate base of 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. It is also related to or classified as phosphatidylserine 38:5(1-)  . It is also related to or classified as 1-acyl-2-arachidonoyl-sn-glycero-3-phosphoserine(1-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> is A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and stearoyl respectively. Its functional parent is oleic acid . Its functional parent is octadecanoic acid . It is a conjugate acid of 1-oleoyl-2-stearoyl-sn-glycero-3-phospho-L-serine(1-) . It is also related to or classified as 3-sn-phosphatidyl-L-serine  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and palmitoleoyl respectively. Its functional parent is oleic acid . Its functional parent is palmitoleic acid . It is a conjugate acid of 1-oleoyl-2-palmitoleoyl-sn-glycero-3-phospho-L-serine(1-) . It is also related to or classified as 3-sn-phosphatidyl-L-serine  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O</smiles> is A phosphatidylserine 34:1 that is the conjugate base of 1-oleoyl-2-palmitoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. It is also related to or classified as phosphatidylserine 34:1(1-)  .


The molecule <smiles>COC(=O)C(NC(C)=O)C(C)C</smiles> <smiles>COC(=O)C(NC(C)=O)C(C)C</smiles> is A valine derivative with one of the amine hydrogens replaced by an acetyl group and the carboxylic acid hydrogen replaced by a methyl group. It has the role of metabolite . It is also related to or classified as valine derivative .


The molecule <smiles>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC(=O)CON)OCCCCCCCCCCCCCCCC</smiles> <smiles>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC(=O)CON)OCCCCCCCCCCCCCCCC</smiles> is A dialkylglycerophosphoethanolamine in which the amino group of 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine (DHPE) carries an (aminooxy)acetyl functionality. It has the role of microarray analysis reagent . Its functional parent is 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine . It is also related to or classified as dialkylglycerophosphoethanolamine .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> is A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and palmitoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is oleic acid . It is a conjugate acid of 1-oleoyl-2-palmitoyl-sn-glycero-3-phospho-L-serine(1-) . It is also related to or classified as 3-sn-phosphatidyl-L-serine  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and arachidonoyl respectively. Its functional parent is arachidonic acid . Its functional parent is oleic acid . It is a conjugate acid of 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-L-serine(1-) . It is also related to or classified as 3-sn-phosphatidyl-L-serine  .