The molecule <smiles>CCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O</smiles> <smiles>CCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O</smiles> is A synthetic 28-amino acid polypeptide consisting of glutaminyl, seryl, prolyl, seryl, tyrosyl, prolyl, alpha-aspartyl, arginyl, alpha-glutamyl, tyrosyl, seryl, alpha-aspartyl, alpha-glutamyl, alpha-aspartyl, arginyl, glutaminyl, isoleucyl, lysyl, glutaminyl, methionyl, leucyl, histidyl, glutaminyl, alpha-glutamyl, cysteinyl, prolyl, arginyl and leucinamide residues joined in sequence. A synthetic version of the peptide epitope from the major peanut allergen glycoprotein Arachis hypogaea h2 (Ara-h2). It has the role of epitope .  It is also related to or classified as polypeptide  . It is also related to or classified as peptidyl amide .


The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A beta-D-galactosyl-(1<->1')-N-acylsphinganine in which the acyl group specified is (17Z)-hexacosenoyl. It has the role of mouse metabolite . Its functional parent is (17Z)-hexacosenoic acid . It is also related to or classified as beta-D-galactosyl-(1<->1')-N-acylsphinganine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A N-acyl-beta-D-galactosylsphingosine in which the acyl group specified is hexacosanoyl. It has the role of mouse metabolite . Its functional parent is hexacosanoic acid . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A beta-D-glucosyl-N-acylsphingosine in which the acyl group is specified as tetracosanoyl. It has the role of mouse metabolite . Its functional parent is tetracosanoic acid . It is also related to or classified as beta-D-glucosyl-N-acylsphingosine  .


The molecule <smiles>NCCCCO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>NCCCCO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O</smiles> is A glycoside that is beta-D-xylose in which the hydrogen of the anomeric hydroxy group is replaced by a 4-aminobutyl group. A synthetic version of the beta-xylosyl glycoside (BXG) epitope from the major peanut allergen glycoprotein Arachis hypogaea h2 (Ara-h2). It has the role of epitope . Its functional parent is beta-D-xylose . It is also related to or classified as glycoside  . It is also related to or classified as xylose derivative .


The molecule <smiles>[C@@H](CO/C=C\CCCCCC/C=C\CCCCCCCC)(COP(OCC[N+](C)(C)C)(=O)[O-])O</smiles> <smiles>[C@@H](CO/C=C\CCCCCC/C=C\CCCCCCCC)(COP(OCC[N+](C)(C)C)(=O)[O-])O</smiles> is A 1-(Z)-alk-1-enyl-sn-glycero-3-phosphocholine in which the alkenyl group is (1Z,9Z)-octadecadienyl. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as 1-(Z)-alk-1-enyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>CCCCCC\C=C\CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCC\C=C\CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A lysophosphatidylcholine 16:1 in which the 1-acyl group is (9E)-hexadecenoyl. It has the role of mouse metabolite . It is also related to or classified as lysophosphatidylcholine(16:1/0:0)  .


The molecule <smiles>C[C@H]1O[C@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1NC=O</smiles> <smiles>C[C@H]1O[C@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1NC=O</smiles> is an amino tetrasaccharide consisting of four N-formyl-alpha-D-perosamine residues linked (1->2) throughout; forms the minimal structure for the A epitope of Brucella spp. It has the role of epitope . It is also related to or classified as amino tetrasaccharide .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A N-acyl-beta-D-galactosylsphingosine in which the acyl group specified is (17Z)-hexacosenoyl. It has the role of mouse metabolite . Its functional parent is (17Z)-hexacosenoic acid . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .


The molecule <smiles>OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O</smiles> is A 2-deoxy-D-glucose that is D-glucopyranose in which the hydroxy group at position 2 has been replaced by a hydrogen. It has the role of metabolite . Its functional parent is D-glucopyranose . It is also related to or classified as 2-deoxy-D-glucose  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A beta-D-glucosyl-N-acylsphingosine in which the acyl group is specified as tricosanoyl. It has the role of mouse metabolite . Its functional parent is tricosanoic acid . It is also related to or classified as beta-D-glucosyl-N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine in which the acyl group specified is hexadecanoyl. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A beta-D-glucosyl-N-acylsphingosine in which the acyl group is specified as (17Z)-hexacosenoyl. It has the role of mouse metabolite . Its functional parent is (17Z)-hexacosenoic acid . It is also related to or classified as beta-D-glucosyl-N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A  N-acyl-beta-D-galactosylsphingosine in which the acyl group is specified as tricosanoyl. It has the role of mouse metabolite . Its functional parent is tricosanoic acid . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine in which the acyl group specified is octadecanoyl. It has the role of mouse metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine in which the acyl group specified is docosanoyl. It has the role of mouse metabolite . Its functional parent is docosanoic acid . It is also related to or classified as beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine  .


The molecule <smiles>CC(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(C)=O)NC1=O</smiles> <smiles>CC(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(C)=O)NC1=O</smiles> is A member of the class of 2,5-diketopiperazines obtained by cyclodimerisation of N(5)-acetyl-N(5)-hydroxy-L-ornithine. It has the role of siderophore . It has the role of fungal metabolite .   It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as L-ornithine derivative , hydroxamic acid .


The molecule <smiles>OC1C[C@@H](O)[C@H](O)[C@@H](COP([O-])([O-])=O)O1</smiles> <smiles>OC1C[C@@H](O)[C@H](O)[C@@H](COP([O-])([O-])=O)O1</smiles> is an organophosphate oxoanion resulting from the deprotonation of the phosphate OH groups of 2-deoxy-D-glucopyranose 6-phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine in which the acyl group specified is tricosanoyl. It has the role of mouse metabolite . Its functional parent is tricosanoic acid . It is also related to or classified as beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine  .


The molecule <smiles>NCCCO[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O</smiles> <smiles>NCCCO[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O</smiles> is A galactosiduronic acid in which beta-D-galacturonic acid is linked glycosidically to a 3-aminopropyl group. It is a conjugate acid of 3-aminopropyl beta-D-galactopyranosiduronate . It is also related to or classified as galactosiduronic acid .


The molecule <smiles>OC1C[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O1</smiles> <smiles>OC1C[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O1</smiles> is A D-hexopyranose 6-phosphate that is the 6-monophospho derivative of 2-deoxy-D-glucopyranose. It is a conjugate acid of 2-deoxy-D-glucopyranose 6-phosphate(2-) . It is also related to or classified as D-hexopyranose 6-phosphate  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine in which the acyl group specified is (15Z)-tetracosenoyl. It has the role of mouse metabolite . Its functional parent is (15Z)-tetracosenoic acid . It is also related to or classified as beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine in which the acyl group specified is eicosanoyl. It has the role of mouse metabolite . Its functional parent is icosanoic acid . It is also related to or classified as beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine  .


The molecule <smiles>CCCO[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1OC(C)=O</smiles> <smiles>CCCO[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1OC(C)=O</smiles> is the organosulfate oxoanion formed by deprotonation of the sulfo group in beta-D-GlcpNAc-(1->4)-alpha-D-Glcp2Ac6SOPr. It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(O)(=O)=O)O[C@H]1OCCCN</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(O)(=O)=O)O[C@H]1OCCCN</smiles> is the monosaccharide sulfate that is N-acetylated 6-O-sulfo-beta-D-glucosamine linked glycosidically to a 3-aminopropyl group. Its functional parent is D-glucosamine . It is a conjugate acid of 3-aminopropyl N-acetyl-6-O-sulfonato-beta-D-glucosaminide . It is also related to or classified as glycoside  . It is also related to or classified as monosaccharide sulfate .


The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC</smiles> is A beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphinganine in which the acyl group specified is hexadecanoyl. It has the role of mouse metabolite .  It is also related to or classified as beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphinganine  . It is also related to or classified as glycosyl-N-hexadecanoylsphinganine .


The molecule <smiles>CO[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O</smiles> <smiles>CO[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O</smiles> is the organosulfate oxoanion formed by deprotonation of the sulfo groups in alpha-D-Glcp6S-(1->4)-beta-D-Glcp6SOMe. It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>NCCCO[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C([O-])=O</smiles> <smiles>NCCCO[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C([O-])=O</smiles> is A carbohydrate acid derivative anion in which the anionic species formed by proton loss from the carboxy function of beta-D-galacturonic acid is linked glycosidically to a 3-aminopropyl group. It is also related to or classified as carbohydrate acid derivative anion .


The molecule <smiles>N[C@H]1C(O)O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@@H]1O</smiles> <smiles>N[C@H]1C(O)O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@@H]1O</smiles> is the organosulfate oxoanion formed by proton loss from the sulfate group of 6-O-sulfo-D-glucosamine. It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC</smiles> is A beta-D-galactosyl-(1<->1')-N-acylsphinganine in which the acyl group specified is hexadecanoyl. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as beta-D-galactosyl-(1<->1')-N-acylsphinganine  .


The molecule <smiles>CO[C@@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O</smiles> <smiles>CO[C@@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O</smiles> is an oligosaccharide sulfate formed by sulfating methyl 6-O-sulfo-alpha-D-glucopyranosyl-(1->4)-6-O-sulfo-beta-D-glucopyranoside at O-6 of each glucose residue. It is a conjugate acid of alpha-D-Glcp6S-(1->4)-beta-D-Glcp6SOMe(2-) . It is also related to or classified as glycoside  . It is also related to or classified as oligosaccharide sulfate , oligosaccharide derivative .


The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC</smiles> is A beta-D-glucosyl-(1<->1')-N-acylsphinganine in which the acyl group specified is hexadecanoyl. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as beta-D-glucosyl-(1<->1')-N-acylsphinganine  .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS([O-])(=O)=O)O[C@H]1OCCCN</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS([O-])(=O)=O)O[C@H]1OCCCN</smiles> is the organosulfate oxoanion that is N-acetylated 6-O-sulfonato-beta-D-glucosamine linked glycosidically to a 3-aminopropyl group. It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC</smiles> is A phosphatidylcholine 34:3 in which the acyl groups specified at positions 1 and 2 are palmitoyl and (9Z,12Z,15Z)-octadecatrienoyl (alpha-linolenoyl) respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is alpha-linolenic acid . It is also related to or classified as phosphatidylcholine 34:3  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\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/CC\C=C\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 trans-3-enoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA; major species at pH 7.3. It is also related to or classified as long-chain fatty acyl-CoA(4-)  . It is also related to or classified as 4-saturated-trans-3-enoyl-CoA(4-)  . It is also related to or classified as trans-3-enoyl-CoA(4-)  .


The molecule <smiles>CC\C=C\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\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 trans-3-enoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of trans-3-hexenoyl-CoA; major species at pH 7.3. It is also related to or classified as 4-saturated-trans-3-enoyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  . It is also related to or classified as trans-3-enoyl-CoA(4-)  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine 34:3 in which the acyl groups specified at positions 1 and 2 are palmitoyl and (6Z,9Z,12Z)-octadecatrienoyl (gamma-linolenoyl) respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is gamma-linolenic acid . It is also related to or classified as phosphatidylcholine 34:3  .


The molecule <smiles>CCCO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1OC(C)=O</smiles> <smiles>CCCO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1OC(C)=O</smiles> is an oligosaccharide sulfate formed by sulfating propyl N-acetyl-beta-D-glucosaminyl-(1->4)-2-O-acetyl-alpha-D-glucoside at O-6 of the reducing-end residue. It is a conjugate acid of beta-D-GlcpNAc-(1->4)-alpha-D-Glcp2Ac6SOPr(1-) .  It is also related to or classified as glycoside  . It is also related to or classified as amino disaccharide , oligosaccharide sulfate .


The molecule <smiles>C\C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> <smiles>C\C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> is A trans,trans-2,3,4,5-tetradehydroacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of trans,trans-2,4-hexadienoyl-CoA; major species at pH 7.3. It is also related to or classified as medium-chain fatty acyl-CoA(4-)  . It is also related to or classified as acyl-CoA(4-)  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC</smiles> is A phosphatidylcholine 36:4 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 5E,8E,11E,14E-eicosatetraenoyl respectively. It has the role of mouse metabolite . It is also related to or classified as phosphatidylcholine 36:4  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine 38:5 in which the acyl groups at positions 1 and 2 are hexadecanoyl and (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid . It is also related to or classified as phosphatidylcholine 38:5  .


The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1OP(O)(O)=O</smiles> <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1OP(O)(O)=O</smiles> is an adenosine bisphosphate having monophosphate groups at the 2'- and 5'-positions and a sulfo group attached to the phosphate at position 5'. Its functional parent is 5'-adenylyl sulfate . Its functional parent is adenosine 2',5'-bisphosphate . It is also related to or classified as adenosine bisphosphate .


The molecule <smiles>CCC(=O)NCCCCNC(N)=N</smiles> <smiles>CCC(=O)NCCCCNC(N)=N</smiles> is Propanoylagmatine. It is also related to or classified as secondary carboxamide  . It is also related to or classified as guanidines .


The molecule <smiles>C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(O)=O)C(O)=O)C(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(O)=O)C(O)=O)C(O)=O</smiles> is A UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate in which the muramoyl moiety has alpha-configuration at its anomeric centre. It is also related to or classified as UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioic acid  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC)OC(=O)CCCCCCCCCCCCCCC</smiles> is A phosphatidylethanol(1-) obtained by deprotonation of the phosphate OH group of 1,2-dipalmitoyl-sn-glycero-3-phosphoethanol; major species at pH 7.3. It is also related to or classified as phosphatidylethanol(1-)  .


The molecule <smiles>CCCCCC\C=C\CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\CCCCCC</smiles> <smiles>CCCCCC\C=C\CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\CCCCCC</smiles> is A phosphatidylcholine 32:2 in which the acyl group at both positions 1 and 2 is (9E)-hexadecenoyl respectively. It has the role of mouse metabolite . It is also related to or classified as phosphatidylcholine 32:2  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine in which the acyl group specified is (17Z)-hexacosenoyl. It has the role of mouse metabolite . Its functional parent is (17Z)-hexacosenoic acid . It is also related to or classified as beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine in which the acyl group specified is tetracosanoyl. It has the role of mouse metabolite . Its functional parent is tetracosanoic acid . It is also related to or classified as beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine 34:2 in which the 1- and 2-acyl groups are specified as (9Z)-hexadecenoyl (palmitoleoyl) and (9Z)-octadecenoyl (oleoyl) respectively. It has the role of mouse metabolite . Its functional parent is oleic acid . Its functional parent is palmitoleic acid . It is also related to or classified as phosphatidylcholine 34:2  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CC</smiles> is A phosphatidylcholine 38:6 in which the acyl groups at C-1 and C-2 are specified as palmitoyl and (4E,7E,10E,13E,16E,19E)-docosahexaenoyl respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as phosphatidylcholine 38:6  .


The molecule <smiles>CCCCCCCCCCCCC\C=C/C(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C/C(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 34:2 in which the 1- and 2-acyl groups are specified as (2Z)-hexadecenoyl and (9Z)-octadecenoyl respectively. It has the role of mouse metabolite . Its functional parent is oleic acid . It is also related to or classified as phosphatidylcholine 34:2  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/C=C\CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/C=C\CCCCC</smiles> is A phosphatidylcholine 36:2 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (10Z,12Z)-octadecadienoyl respectively. It has the role of mouse metabolite . Its functional parent is octadecanoic acid . Its functional parent is dihomolinoleic acid . It is also related to or classified as phosphatidylcholine 36:2  .


The molecule <smiles>CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine 34:2 in which the 1- and 2-acyl groups are specified as (9Z)-hexadecenoyl and (11Z)-octadecenoyl respectively. It has the role of mouse metabolite . Its functional parent is palmitoleic acid . Its functional parent is cis-vaccenic acid . It is also related to or classified as phosphatidylcholine 34:2  .


The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 32:1 in which the acyl groups at C-1 and C-2 are tetradecanoyl and (9Z)-octadecenoyl respectively. It has the role of mouse metabolite . Its functional parent is oleic acid . It is also related to or classified as phosphatidylcholine 32:1  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 36:2 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (6Z,9Z)-octadecadienoyl respectively. It has the role of mouse metabolite . Its functional parent is octadecanoic acid . Its functional parent is (6Z,9Z)-octadecadienoic acid . It is also related to or classified as phosphatidylcholine 36:2  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C=C\C=C/C=C\CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C=C\C=C/C=C\CCCCC</smiles> is A phosphatidylcholine 38:4 in which the acyl groups at positions 1 and 2 are octadecanoyl and (8Z,10Z,12Z,14Z)-eicosatetraenoyl respectively. It has the role of mouse metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as phosphatidylcholine 38:4  .


The molecule <smiles>CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A phosphatidylcholine 40:7 in which the acyl groups at C-1 and C-2 are (11Z)-octadecenoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It has the role of mouse metabolite . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . Its functional parent is cis-vaccenic acid . It is also related to or classified as phosphatidylcholine 40:7  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine O-38:5 in which the alkenyl group at position 1 is (9Z)-octadecenyl and the acyl group at position 2 is (5Z,8Z,11Z,14Z)-eicosatetraenoyl respectively. It has the role of mouse metabolite . Its functional parent is arachidonic acid . It is also related to or classified as phosphatidylcholine O-38:5  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine O-34:1 in which the alkenyl group at position 1 is (9Z)-octadecenyl and the acyl group at position 2 is hexadecanoyl. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as phosphatidylcholine O-34:1  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A phosphatidylcholine 38:5 in which the acyl groups at positions 1 and 2 are hexadecanoyl and (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid . It is also related to or classified as phosphatidylcholine 38:5  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A phosphatidylcholine 40:7 in which the acyl groups at positions 1 and 2 are specified as (9Z)-octadecenoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It has the role of mouse metabolite . Its functional parent is oleic acid . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as phosphatidylcholine 40:7  .


The molecule <smiles>C(C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CC(O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])CO/C=C\CCCCCCCCCCCCCCCC)=O</smiles> <smiles>C(C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CC(O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])CO/C=C\CCCCCCCCCCCCCCCC)=O</smiles> is A  phosphatidylcholine (P-38:4) in which the alkenyl group at position 1 is (1Z)-octadecenyl and the acyl group at position 2 is (5Z,8Z,11Z,14Z)-icosatetraenoyl. It has the role of mouse metabolite . Its functional parent is arachidonic acid . It is also related to or classified as 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as phosphatidylcholine (P-38:4)  .


The molecule <smiles>CCCCCCCCCCCCCCCC\C=C/OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC\C=C/OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine in which the alkenyl group at position 1 is (1Z)-octadecenyl and the acyl group at position 2 is hexadecanoyl respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/CCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/CCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 7Z-octadecenoyl respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 11Z-octadecenoyl respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is cis-vaccenic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine 36:5 in which the acyl groups specified at positions 1 and 2 are (9Z)-hexadecenoyl and (5Z,8Z,11Z,14Z)-eicosatetraenoyl respectively. It has the role of mouse metabolite . Its functional parent is arachidonic acid . Its functional parent is palmitoleic acid . It is also related to or classified as phosphatidylcholine 36:5  .


The molecule <smiles>C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1</smiles> <smiles>C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1</smiles> is A tripeptide consisting of Gln-Ala-Arg carrying a Boc group at the N-terminal and a 7-amino-4-methylcoumarin group at the C-terminal.   It is also related to or classified as tripeptide  . It is also related to or classified as carbamate ester , coumarins .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C=C\C=C/C=C\C=C/C=C/CC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C=C\C=C/C=C\C=C/C=C/CC</smiles> is A phosphatidylcholine 40:6 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (9Z,11Z,13Z,15Z,17Z,19E)-docosahexaenoyl respectively. It has the role of mouse metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as phosphatidylcholine 40:6  .


The molecule <smiles>CC(=O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CC(=O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acyl-L-carnitine in which the acyl group is specified as acetoacetyl. Its functional parent is acetoacetic acid . It is also related to or classified as oxo-fatty acyl-L-carnitine  . It is also related to or classified as O-acyl-L-carnitine  .


The molecule <smiles>CC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> is an optically active form of O-isobutyrylcarnitine having (R)-configuration. It has the role of human metabolite . It is also related to or classified as saturated fatty acyl-L-carnitine  . It is also related to or classified as methyl-branched fatty acyl-L-carnitine  . It is also related to or classified as short-chain fatty acyl-L-carnitine  . It is also related to or classified as O-isobutyrylcarnitine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)\C=C\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)\C=C\C=C\CCCCCCCCCCCCC</smiles> is A phosphatidylcholine 36:2 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (2E,4E)-octadecadienoyl respectively. It has the role of mouse metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as phosphatidylcholine 36:2  .


The molecule <smiles>CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C\CCCCCCCC</smiles> <smiles>CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C\CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which both acyl substituents are specified as (9E)-octadecenoyl. It has the role of mouse metabolite . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 36:3 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (6Z,9Z)-octadecadienoyl respectively. It has the role of mouse metabolite . Its functional parent is oleic acid . Its functional parent is (6Z,9Z)-octadecadienoic acid . It is also related to or classified as phosphatidylcholine 36:3  .


The molecule <smiles>CC(O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CC(O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> is an O-hydroxybutyryl-L-carnitine in which the acyl group is specified as 3-hydroxybutyryl. Its functional parent is 3-hydroxybutyric acid . It is also related to or classified as O-hydroxybutyryl-L-carnitine  . It is also related to or classified as hydroxy-fatty acyl-L-carnitine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituents at positions 1 and 2 are specified as octadecanoyl (stearoyl) and (5E,8E,11E,14E)-eicosatetraenoyl respectively. It has the role of ceramide allergen . It has the role of mouse metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>CCC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> is an optically active form of O-2-methylbutyrylcarnitine having (R)-configuration. It is also related to or classified as methyl-branched fatty acyl-L-carnitine  . It is also related to or classified as 2-methylbutyrylcarnitine  .


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


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A phosphatidylcholine 40:6 in which the acyl groups at positions  1 and 2 are octadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It has the role of mouse metabolite . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . Its functional parent is octadecanoic acid . It is also related to or classified as phosphatidylcholine 40:6  .


The molecule <smiles>CCCCCCCC\C=C/C\C=C/CCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCC\C=C/C\C=C/CCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (6Z,9Z)-octadecadienoyl respectively. It has the role of mouse metabolite . Its functional parent is (6Z,9Z)-octadecadienoic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of linolenic acid with the hydroxy group of ethanol. It has the role of plant metabolite . It has the role of human metabolite . Its functional parent is alpha-linolenic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CC(C)CCCC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CC(C)CCCC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> is an optically active form of 2,6-dimethylheptanoylcarnitine having (R)-configuration. It is also related to or classified as methyl-branched fatty acyl-L-carnitine  . It is also related to or classified as 2,6-dimethylheptanoyl carnitine  .


The molecule <smiles>CCCCCCCCCCCCCC(O)C(O)=O</smiles> <smiles>CCCCCCCCCCCCCC(O)C(O)=O</smiles> is A 2-hydroxy fatty acid that is pentadecanoic acid substituted by a hydroxy group at position 2. It has the role of fungal metabolite . Its functional parent is pentadecanoic acid . It is also related to or classified as 2-hydroxy fatty acid  .


The molecule <smiles>CC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> <smiles>CC(C)CCCC(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 multi-methyl-branched fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 2,6-dimethylheptanoyl-CoA; major species at pH 7.3.  It is also related to or classified as saturated fatty acyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  . It is also related to or classified as multi-methyl-branched fatty acyl-CoA(4-) .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (9Z)-octadecenoyl respectively. It has the role of mouse metabolite . Its functional parent is oleic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>CCOC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCOC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of stearidonic acid with the hydroxy group of ethanol. Its functional parent is all-cis-octadeca-6,9,12,15-tetraenoic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(O)C(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCC(O)C(O)=O</smiles> is A  2-hydroxy fatty acid that is nonadecanoic acid substituted by a hydroxy group at position 2. Its functional parent is nonadecanoic acid . It is also related to or classified as 2-hydroxy fatty acid  .


The molecule <smiles>CCCCCCCCCCCCCC(=O)OCC</smiles> <smiles>CCCCCCCCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of myristic acid with the hydroxy group of ethanol. It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (11Z)-icosenoic acid with the hydroxy group of ethanol. Its functional parent is (11Z)-icos-11-enoic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A omega-hydroxy fatty acid that is  heptacosanoic acid substituted by a hydroxy group at position 27. Its functional parent is heptacosanoic acid . It is also related to or classified as omega-hydroxy fatty acid .


The molecule <smiles>CCCCCCCCCCC\C=C/CCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCC\C=C/CCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCC\C=C/CCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCC\C=C/CCCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (6Z)-octadecenoyl respectively. It has the role of mouse metabolite . Its functional parent is petroselinic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy fatty acid that is octacosanoic acid substituted by a hydroxy group at position 28. Its functional parent is octacosanoic acid . It is also related to or classified as omega-hydroxy-ultra-long-chain fatty acid  .


The molecule <smiles>CCCCCCCCCC\C=C/CCCCCCCC(=O)OCC</smiles> <smiles>CCCCCCCCCC\C=C/CCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (9Z)-icosenoic acid with the hydroxy group of ethanol. Its functional parent is gadoleic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of arachidic (icosanoic) acid with the hydroxy group of ethanol. Its functional parent is icosanoic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy fatty acid that is hentriacontanoic acid (a C31 acid) substituted by a hydroxy group at position 31. It is also related to or classified as omega-hydroxy-ultra-long-chain fatty acid  .


The molecule <smiles>CCCCCCCCCCCC(O)C(O)=O</smiles> <smiles>CCCCCCCCCCCC(O)C(O)=O</smiles> is A 2-hydroxy fatty acid that is tridecanoic acid substituted by  a hydroxy group at position 2. It has the role of fungal metabolite . Its functional parent is tridecanoic acid . It is also related to or classified as 2-hydroxy fatty acid  .


The molecule <smiles>CCC(C)CCCCCCCCC(O)=O</smiles> <smiles>CCC(C)CCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is dodecanoic acid (lauric acid) substituted by a methyl group at position 10. Its functional parent is dodecanoic acid .  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>CCCCCC\C=C/CCCCCCCCCCCC(=O)OCC</smiles> <smiles>CCCCCC\C=C/CCCCCCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (13Z)-icosenoic acid with the hydroxy group of ethanol. It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is octadecanoic acid substituted by a methyl group at position 16. It has the role of animal metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>CCC(C)CCCCCCCCCCCCC(O)=O</smiles> <smiles>CCC(C)CCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is hexadecanoic acid (palmitic acid) substituted by a methyl group at position 14. It has the role of mammalian metabolite . It has the role of plant metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A omega-hydroxy fatty acid that is nonacosanoic acid substituted by a hydroxy group at position 29. Its functional parent is nonacosanoic acid . It is also related to or classified as omega-hydroxy-ultra-long-chain fatty acid  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(O)C(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(O)C(O)=O</smiles> is A 2-hydroxy fatty acid that is henicosanoic acid substituted by a hydroxy group at position 2. Its functional parent is henicosanoic acid . It is also related to or classified as 2-hydroxy fatty acid  .


The molecule <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O</smiles> <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O</smiles> is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-D-mannose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is tetracosanoic acid (lignoceric acid) substituted by a methyl group at position 22. Its functional parent is tetracosanoic acid . It is also related to or classified as very long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain fatty acid comprising of 29 carbon atoms. It has the role of plant metabolite . It is also related to or classified as prostaglandin A1  . It is also related to or classified as straight-chain saturated fatty acid .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is  arachidic acid substituted by a methyl group at position 18. It has the role of mammalian metabolite . Its functional parent is icosanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)C([O-])=O)[C@@H](O)[C@H]1O</smiles> <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)C([O-])=O)[C@@H](O)[C@H]1O</smiles> is A GDP-D-mannuronate in which the anomeric centre of the mannuronate fragment has alpha-configuration. It is also related to or classified as GDP-D-mannuronate  .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of arachidonic acid with the hydroxy group of ethanol. It has the role of human xenobiotic metabolite . It has the role of human blood serum metabolite . Its functional parent is arachidonic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>N=O</smiles> <smiles>N=O</smiles> is A nitrogen oxoacid consisting of an oxygen atom double-bonded to an NH group. It is also related to or classified as nitrogen oxoacid .


The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy fatty acid that is tritriacontanoic acid (C33) acid) substituted by a hydroxy group at position 33. It is also related to or classified as omega-hydroxy-ultra-long-chain fatty acid  .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A  methyl-branched fatty acid that is  cerotic acid substituted by a methyl group at position 24. Its functional parent is hexacosanoic acid . It is also related to or classified as very long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>CCOC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCOC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (8Z,11Z,14Z,17Z)-icosatetraenoic acid with the hydroxy group of ethanol. Its functional parent is all-cis-8,11,14,17-icosatetraenoic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is docosanoic acid (behenic acid) substituted by a methyl group at position 20. Its functional parent is docosanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (4Z,7Z,10Z,13Z,16Z)-docosapentaenoic acid with the hydroxy group of ethanol. Its functional parent is (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CC(C)CCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is heptadecanoic acid (margaric acid) substituted by a methyl group at position 16. Its functional parent is heptadecanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>C\C=C\C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>C\C=C\C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> is A O-butenoyl-L-carnitine  in which the acyl group is specified as crotonyl. Its functional parent is crotonic acid . It is also related to or classified as (2E)-enoyl-L-carnitine  . It is also related to or classified as O-butenoyl-L-carnitine  .


The molecule <smiles>CC(C)CCCCCCCCC(O)=O</smiles> <smiles>CC(C)CCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is  undecanoic acid substituted by a methyl group at position 10. Its functional parent is undecanoic acid .  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>CCCCCCCCCC\C=C/CCCCCCCCCC(=O)OCC</smiles> <smiles>CCCCCCCCCC\C=C/CCCCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (11Z)-docosenoic acid with the hydroxy group of ethanol. Its functional parent is cetoleic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CC(C)CCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is  henicosanoic acid substituted by a methyl group at position 20. Its functional parent is henicosanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>COCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)N</smiles> <smiles>COCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)N</smiles> is A polyether that is a nine-membered polypropylene glycol terminated by an amino group at one end and a methoxyethyl termination at the other. A common crystallisation reagent. It is also related to or classified as polyether  . It is also related to or classified as primary amino compound .


The molecule <smiles>CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC</smiles> <smiles>CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (4Z,7Z,10Z,13Z,16Z)-henicosapentaenoic acid with the hydroxy group of ethanol. It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is pentacosanoic acid substituted by a methyl group at position 24. Its functional parent is pentacosanoic acid . It is also related to or classified as fatty acid 26:0  . It is also related to or classified as very long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CC(C)CCCCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is nonadecanoic acid substituted by a methyl group at position 18. Its functional parent is nonadecanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC\C=C/CCCCCCO</smiles> <smiles>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC\C=C/CCCCCCO</smiles> is A monounsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (11Z)-18-hydroxyoctadecenoyl-CoA; major species at pH 7.3. It is also related to or classified as monounsaturated 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 omega-hydroxy fatty acyl-CoA(4-)  .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is triacontanoic acid (melissic acid) substituted by a methyl group at position 28. Its functional parent is triacontanoic acid . It is also related to or classified as ultra-long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is octacosanoic acid (montanic acid) substituted by a methyl group at position 26. Its functional parent is octacosanoic acid . It is also related to or classified as ultra-long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is  tricosanoic acid substituted by a methyl group at position 22. It has the role of mammalian metabolite . Its functional parent is tricosanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCCO</smiles> <smiles>CC(C)CCCCCCCCCCCCCCCO</smiles> is A long-chain primary fatty alcohol that is heptadecan-1-ol substituted by a hydroxy group at position 1 and a methyl group at position 16. Its functional parent is heptadecan-1-ol . It is also related to or classified as long-chain primary fatty alcohol  .


The molecule <smiles>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=C/C\C=C/CCCCCO</smiles> <smiles>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=C/C\C=C/CCCCCO</smiles> is A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA; major species at pH 7.3. It is also related to or classified as polyunsaturated 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 omega-hydroxy fatty acyl-CoA(4-)  .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is heptacosanoic acid substituted by a methyl group at position 26. Its functional parent is heptacosanoic acid . It is also related to or classified as very long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>CC(C)CCCCCCCCCCCCCO</smiles> <smiles>CC(C)CCCCCCCCCCCCCO</smiles> is A long-chain primary fatty alcohol that is  pentadecan-1-ol substituted by a methyl group at position 14. It is also related to or classified as long-chain primary fatty alcohol  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (13Z)-docosenoic acid with the hydroxy group of ethanol. Its functional parent is erucic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCCCCCCO</smiles> <smiles>CC(C)CCCCCCCCCCCCCCCCCCCO</smiles> is A long-chain primary fatty alcohol that is  henicosan-1-ol substituted by a methyl group at position 20. Its functional parent is henicosan-1-ol . It is also related to or classified as long-chain primary fatty alcohol  .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A  methyl-branched fatty acid that is nonacosanoic acid substituted by a methyl group at position 28. Its functional parent is nonacosanoic acid . It is also related to or classified as ultra-long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>NC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](C[NH3+])C([O-])=O</smiles> <smiles>NC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](C[NH3+])C([O-])=O</smiles> is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine; major species at pH 7.3. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S. It has the role of bacterial metabolite . It is also related to or classified as amino-acid zwitterion .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCO</smiles> <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCO</smiles> is A very long-chain primary fatty alcohol that is  tricosan-1-ol substituted by a methyl group at position 22. Its functional parent is tricosan-1-ol . It is also related to or classified as very long-chain primary fatty alcohol  .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@H](C[NH3+])NC(=O)[C@@H]1O[C@H]1C(N)=O)C([O-])=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@H](C[NH3+])NC(=O)[C@@H]1O[C@H]1C(N)=O)C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide C; major species at pH 7.3. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S. It has the role of bacterial metabolite . It is also related to or classified as peptide zwitterion .


The molecule <smiles>CCC(=O)c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1</smiles> <smiles>CCC(=O)c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1</smiles> is A member of the class of  phenothiazines that is 10H-phenothiazine substituted by a 2-(dimethylamino)propyl group at nitrogen atom and a propanoyl group at position 2. It has the role of sedative . It has the role of phenothiazine antipsychotic drug . It has the role of histamine antagonist . It has the role of serotonergic antagonist . It has the role of dopaminergic antagonist . It has the role of muscarinic antagonist . It is also related to or classified as phenothiazines , tertiary amino compound , aromatic ketone .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCO</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCO</smiles> is A long-chain primary fatty alcohol that is octadecan-1-ol (stearyl alcohol) substituted by a methyl group at position 16. Its functional parent is octadecan-1-ol . It is also related to or classified as long-chain primary fatty alcohol  .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCCCCO</smiles> <smiles>CC(C)CCCCCCCCCCCCCCCCCO</smiles> is A long-chain primary fatty alcohol that is  nonadecan-1-ol substituted by a methyl group at position 18. It is also related to or classified as long-chain primary fatty alcohol  .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> is A very long-chain primary fatty alcohol that is  heptacosan-1-ol substituted by a methyl group at position 26. It is also related to or classified as very long-chain primary fatty alcohol  .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCO</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCO</smiles> is A very long-chain primary fatty alcohol that is tetracosan-1-ol substituted by a methyl group at position 22. Its functional parent is tetracosan-1-ol . It is also related to or classified as very long-chain primary fatty alcohol  .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCCCO</smiles> <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCCCO</smiles> is A very long-chain primary fatty alcohol that is  pentacosan-1-ol substituted by a methyl group at position 24. Its functional parent is pentacosan-1-ol . It is also related to or classified as very long-chain primary fatty alcohol  .


The molecule <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> <smiles>CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> is an ultra-long-chain primary fatty alcohol that is nonacosan-1-ol substituted by a methyl group at position 28. It is also related to or classified as ultra-long-chain primary fatty alcohol  .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCO</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCO</smiles> is A very long-chain primary fatty alcohol that is  hexacosan-1-ol substituted by a methyl group at psotion 24. Its functional parent is hexacosan-1-ol . It is also related to or classified as very long-chain primary fatty alcohol  .


The molecule <smiles>CC(C)CCCCCCCCCCCO</smiles> <smiles>CC(C)CCCCCCCCCCCO</smiles> is A long-chain primary fatty alcohol that is tridecan-1-ol substituted a methyl group at position 12. It is also related to or classified as long-chain primary fatty alcohol  .


The molecule <smiles>CCCCCC(O)CCCCCC([O-])=O</smiles> <smiles>CCCCCC(O)CCCCCC([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of 7-hydroxylauric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as medium-chain fatty acid anion  . It is also related to or classified as hydroxy fatty acid anion .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCO</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCO</smiles> is A long-chain primary fatty alcohol that is docosan-1-ol substituted by a methyl group at position 20. Its functional parent is docosan-1-ol . It is also related to or classified as long-chain primary fatty alcohol  .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCO</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCCO</smiles> is A long-chain primary fatty alcohol that is icosan-1-ol substituted by a methyl group at position 18. Its functional parent is icosan-1-ol . It is also related to or classified as long-chain primary fatty alcohol  .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> is an ultra-long-chain primary fatty alcohol that is tetratriacontan-1-ol substituted by a methyl group at position 32. Its functional parent is tetratriacontan-1-ol . It is also related to or classified as ultra-long-chain primary fatty alcohol  .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCO</smiles> <smiles>CCC(C)CCCCCCCCCCCCCO</smiles> is A long-chain primary fatty alcohol that is hexadecan-1-ol substituted by a methyl group at position 14. Its functional parent is hexadecan-1-ol . It is also related to or classified as long-chain primary fatty alcohol  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OCC</smiles> is an octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of ethanol. It has the role of plant metabolite . It is also related to or classified as long-chain fatty acid ethyl ester  . It is also related to or classified as octadecanoate ester  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of  oleic acid  with the hydroxy group of ethanol. It has the role of acaricide . It has the role of plant metabolite . Its functional parent is oleic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> is A very long-chain primary fatty alcohol that is octacosan-1-ol substituted by a methyl group at position 26. Its functional parent is octacosan-1-ol . It is also related to or classified as ultra-long-chain primary fatty alcohol  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of ethanol. It has the role of plant metabolite . It is also related to or classified as long-chain fatty acid ethyl ester  . It is also related to or classified as hexadecanoate ester  .


The molecule <smiles>CCOC(=O)CCCC\C=C/C\C=C/C\C=C/CC=C</smiles> <smiles>CCOC(=O)CCCC\C=C/C\C=C/C\C=C/CC=C</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (6Z,9Z,12Z,15Z)-hexadecatetraenoic acid with the hydroxy group of ethanol. It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> is an ultra-long-chain primary fatty alcohol that is dotriacontan-1-ol substituted by a methyl group at position 30. Its functional parent is dotriacontan-1-ol . It is also related to or classified as ultra-long-chain primary fatty alcohol  .


The molecule <smiles>CCOC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCOC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid with the hydroxy group of ethanol. Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\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/CC\C=C\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 trans-3-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid. It is a conjugate acid of (3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-) . It is also related to or classified as trans-3-enoyl-CoA  . It is also related to or classified as long-chain fatty acyl-CoA  .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> is an 1-acyl-sn-glycero-3-phosphoserine in which the 1-acyl group is specified as arachidonoyl. Its functional parent is arachidonic acid . It is a conjugate acid of 1-arachidonoyl-sn-glycero-3-phospho-L-serine(1-) . It is also related to or classified as 1-acyl-sn-glycero-3-phosphoserine  .


The molecule <smiles>C\C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>C\C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is A trans,trans-2,3,4,5-tetradehydroacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans,trans-2,4-hexadienoic acid. Its functional parent is (2E,4E)-hexa-2,4-dienoic acid . It is a conjugate acid of trans,trans-2,4-hexadienoyl-CoA(4-) . It is also related to or classified as trans,trans-2,3,4,5-tetradehydroacyl-CoA  . It is also related to or classified as medium-chain fatty acyl-CoA .


The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> is an ultra-long-chain primary fatty alcohol that is triacontan-1-ol substituted by a methyl group at position 28. Its functional parent is triacontan-1-ol . It is also related to or classified as ultra-long-chain primary fatty alcohol  .


The molecule <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)C(O)=O)[C@@H](O)[C@H]1O</smiles> <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)C(O)=O)[C@@H](O)[C@H]1O</smiles> is A GDP-D-mannuronic acid in which the anomeric centre of the mannuronic acid fragment has alpha-configuration. It is a conjugate acid of GDP-alpha-D-mannuronate . It is also related to or classified as GDP-D-mannuronic acid  .


The molecule <smiles>CCCCCC\C=C/CCCCCCCC(=O)OCC</smiles> <smiles>CCCCCC\C=C/CCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of  palmitoleic acid with the hydroxy group of ethanol. Its functional parent is palmitoleic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC\C=C/CCCCCCO</smiles> <smiles>CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC\C=C/CCCCCCO</smiles> is an omega-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z)-18-hydroxyoctadecenoic acid. It is a conjugate acid of (11Z)-18-hydroxyoctadecenoyl-CoA(4-) .  It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as monounsaturated fatty acyl-CoA , omega-hydroxy fatty acyl-CoA .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC)OC(=O)CCCCCCCCCCCCCCC</smiles> is A phosphatidylethanol in which both phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl). Its functional parent is hexadecanoic acid . It is a conjugate acid of 1,2-dipalmitoyl-sn-glycero-3-phosphoethanol(1-) . It is also related to or classified as phosphatidylethanol  .


The molecule <smiles>CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=C/C\C=C/CCCCCO</smiles> <smiles>CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=C/C\C=C/CCCCCO</smiles> is an omega-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z)-18-hydroxyoctadecadienoic acid. It is a conjugate acid of (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA , omega-hydroxy fatty acyl-CoA .


The molecule <smiles>NC[C@H](NC(=O)[C@@H]1O[C@H]1C(N)=O)C(O)=O</smiles> <smiles>NC[C@H](NC(=O)[C@@H]1O[C@H]1C(N)=O)C(O)=O</smiles> is A dicarboxylic acid diamide consisting of 3-aminoalanine in which the alpha-amino fuunction is acylated by a 3-carbamoyloxirane-2-carbonyl group. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S. It has the role of bacterial metabolite . Its functional parent is 3-amino-L-alanine . Its functional parent is fumaric acid . It is also related to or classified as epoxide  . It is also related to or classified as beta-amino acid , dicarboxylic acid diamide .


The molecule <smiles>CCCCCC\C=C/CCCCCCCCCC(=O)OCC</smiles> <smiles>CCCCCC\C=C/CCCCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of cis-vaccenic acid with the hydroxy group of ethanol. Its functional parent is cis-vaccenic acid . It is also related to or classified as long-chain fatty acid ethyl ester  .


The molecule <smiles>CC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2,6-dimethylheptanoic acid. It is a conjugate acid of 2,6-dimethylheptanoyl-CoA(4-) .  It is also related to or classified as saturated fatty acyl-CoA  . It is also related to or classified as multi-methyl-branched fatty acyl-CoA , medium-chain fatty acyl-CoA .


The molecule <smiles>CCCCCCCCCCCCC(O)CO</smiles> <smiles>CCCCCCCCCCCCC(O)CO</smiles> is A glycol that is tetradecane bearing two hydroxy substituents located at positions 1 and 2. It is also related to or classified as glycol  . It is also related to or classified as tetradecanediol .


The molecule <smiles>CC\C=C\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\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 trans-3-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-3-hexenoic acid. Its functional parent is trans-hex-3-enoic acid . It is a conjugate acid of trans-3-hexenoyl-CoA(4-) .  It is also related to or classified as trans-3-enoyl-CoA  . It is also related to or classified as monounsaturated fatty acyl-CoA , medium-chain fatty acyl-CoA .


The molecule <smiles>CCCCCC(O)CCCCCC(O)=O</smiles> <smiles>CCCCCC(O)CCCCCC(O)=O</smiles> is A hydroxy fatty acid comprising lauric acid carrying a single hydroxy substituent at position 7. Its functional parent is dodecanoic acid . It is a conjugate acid of 7-hydroxylaurate .  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as hydroxy fatty acid .


The molecule <smiles>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)COC(C)=O)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O</smiles> <smiles>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)COC(C)=O)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O</smiles> is A linear amino trisaccharide comprising an N,9-O-diacetyl-alpha-neuraminyl residue (2->6)-linked to a beta-D-galactosyl residue, which is in turn linked (1->4) to N-acetyl-beta-D-glucosamine. It is also related to or classified as glucosamine oligosaccharide , amino trisaccharide .


The molecule <smiles>CCCCCCCCCCCCCCCCCCC(O)CO</smiles> <smiles>CCCCCCCCCCCCCCCCCCC(O)CO</smiles> is A glycol that is icosane bearing two hydroxy substituents located at positions 1 and 2. It is also related to or classified as glycol  .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@H](CN)NC(=O)[C@@H]1O[C@H]1C(N)=O)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@H](CN)NC(=O)[C@@H]1O[C@H]1C(N)=O)C(O)=O</smiles> is A member of the family of dapdiamides consisting of 3-aminoalanylvaline, in which the N-terminus is acylated by a 3-carbamoyloxirane-2-carbonyl group. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S. It is also related to or classified as epoxide  . It is also related to or classified as dapdiamide .


The molecule <smiles>CC(CO)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1</smiles> <smiles>CC(CO)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1</smiles> is A member of the class of chromanols that is (+)-alpha-tocopherol bearing an additional hydroxy substituent at position 13'. It has the role of human metabolite . Its functional parent is (R,R,R)-alpha-tocopherol . It is also related to or classified as primary alcohol  .  It is also related to or classified as phenols  . It is also related to or classified as chromanol .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCC(O)CO</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCC(O)CO</smiles> is A glycol that is docosane bearing two hydroxy substituents located at positions 1 and 2. It is also related to or classified as glycol  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(O)CO</smiles> <smiles>CCCCCCCCCCCCCCCCC(O)CO</smiles> is A glycol that is octadecane bearing two hydroxy substituents located at positions 1 and 2. Its functional parent is octadecane . It is also related to or classified as glycol  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCC(O)CO</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCC(O)CO</smiles> is A glycol that is hexacosane bearing two hydroxy substituents located at positions 1 and 2. Its functional parent is hexacosane . It is also related to or classified as glycol  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(O)CO</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCC(O)CO</smiles> is A glycol that is tetracosane bearing two hydroxy substituents located at positions 1 and 2. It is also related to or classified as glycol  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O</smiles> is A long-chain fatty aldehyde resulting from the formal oxidation of the hydroxy group of triacontan-1-ol. It has the role of plant metabolite . It is also related to or classified as long-chain fatty aldehyde  . It is also related to or classified as 2,3-saturated fatty aldehyde  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O</smiles> is A long-chain fatty aldehyde resulting from the formal oxidation of the hydroxy group of dotriacontan-1-ol. It has the role of plant metabolite . Its functional parent is dotriacontane . It is also related to or classified as long-chain fatty aldehyde  . It is also related to or classified as 2,3-saturated fatty aldehyde  .


The molecule <smiles>CC(C)=CC(=O)CC(=C)C=C</smiles> <smiles>CC(C)=CC(=O)CC(=C)C=C</smiles> is A member of the class of monoterpene ketones that is octa-2,7-dien-4-one substituted at positions 2 and 6 by methyl and methylidene groups respectively. It has the role of animal metabolite . It has the role of plant metabolite .  It is also related to or classified as enone  . It is also related to or classified as monoterpene ketone .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CO</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CO</smiles> is A glycol that is triacontane bearing two hydroxy substituents located at positions 1 and 2. It is also related to or classified as glycol  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CO</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CO</smiles> is A glycol that is octacosane bearing two hydroxy substituents located at positions 1 and 2. Its functional parent is octacosane . It is also related to or classified as glycol  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) obtained by deprotonation of the phosphate OH groups of 1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate); major species at pH 7.3. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-)  .


The molecule <smiles>CC(CO)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1</smiles> <smiles>CC(CO)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1</smiles> is A member of the class of chromanols that is (+)-gamma-tocopherol bearing an additional hydroxy substituent at position 13'. Its functional parent is gamma-tocopherol . It is also related to or classified as primary alcohol  .  It is also related to or classified as phenols  . It is also related to or classified as chromanol .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 5-phosphate in which both phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl). Its functional parent is hexadecanoic acid . It is a conjugate acid of 1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3-) . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 5-phosphate  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with all-cis-5,8,11,14,17-icosapentaenoic acid. It has the role of mouse metabolite . Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid . It is also related to or classified as cholesteryl icosapentaenoate  .


The molecule <smiles>CCC(=C)C(O)=O</smiles> <smiles>CCC(=C)C(O)=O</smiles> is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by an ethyl group. It has the role of mammalian metabolite . Its functional parent is acrylic acid . It is a conjugate acid of 2-ethylacrylate . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A sialopentaosylceramide consisting of a alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glucosyl unit attached to a Cer(d18:1/23:0). It has the role of mouse metabolite . Its functional parent is tricosanoic acid . It is also related to or classified as sialopentaosylceramide .


The molecule <smiles>CC(C)=C[C@H](O)CC(=C)C=C</smiles> <smiles>CC(C)=C[C@H](O)CC(=C)C=C</smiles> is A meroterpenoid that is (4R)-octa-2,7-dien-4-ol substituted at positions 2 and 6 by methyl and methylidene groups respectively. It has the role of animal metabolite . It is also related to or classified as secondary alcohol  . It is also related to or classified as meroterpenoid , olefinic compound .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A sialotriaosylceramide consisting of beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide(d18:1/22:1(13Z)). It has the role of mouse metabolite . Its functional parent is erucic acid . It is also related to or classified as sialotriaosylceramide .


The molecule <smiles>CCC(=C)C([O-])=O</smiles> <smiles>CCC(=C)C([O-])=O</smiles> is A monocarboxylic acid anion that is the  conjugate base of 2-ethylacrylic acid. It has the role of mammalian metabolite . It is also related to or classified as monocarboxylic acid anion  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A sialotriaosylceramide consisting of beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide(d18:1/24:1(15Z)). It has the role of mouse metabolite . Its functional parent is (15Z)-tetracosenoic acid . It is also related to or classified as sialotriaosylceramide .


The molecule <smiles>C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1[NH2+][C@H]1C=C(COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1[NH2+][C@H]1C=C(COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups as well as protonation of the amino group of acarbose 7(IV)-phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A sialotriaosylceramide consisting of beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide(d18:1/23:0). It has the role of mouse metabolite . Its functional parent is tricosanoic acid . It is also related to or classified as sialotriaosylceramide .


The molecule <smiles>CC(C)NCC(O)COc1cccc2ccccc12</smiles> <smiles>CC(C)NCC(O)COc1cccc2ccccc12</smiles> is A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. It has the role of anxiolytic drug . It has the role of beta-adrenergic antagonist . It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of xenobiotic . It has the role of anti-arrhythmia drug . It has the role of environmental contaminant . It has the role of human blood serum metabolite . Its functional parent is 1-naphthol .  It is also related to or classified as secondary amine  . It is also related to or classified as propanolamine  . It is also related to or classified as naphthalenes .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A sialotriaosylceramide consisting of beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide(d18:1/21:0). It has the role of mouse metabolite . Its functional parent is henicosanoic acid . It is also related to or classified as sialotriaosylceramide .


The molecule <smiles>CS\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>CS\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an acyl-CoA thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-(methylthio)acrylic acid. It is a conjugate acid of 3-(methylthio)acryloyl-CoA(4-) . It is also related to or classified as acyl-CoA  .


The molecule <smiles>CSC(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>CSC(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 acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxy-3-(methylthio)propanoyl; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .