anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC(=O)CC(Br)C(O)=O OC(=O)CC(Br)C(O)=O is A dicarboxylic acid that is succinic acid substituted at position 2 by a bromine atom. Its functional parent is succinic acid . It is a conjugate acid of bromosuccinate . It is also related to or classified as 2-bromocarboxylic acid  . It is also related to or classified as dicarboxylic acid .
The molecule [O-]C(=O)CC(Br)C([O-])=O [O-]C(=O)CC(Br)C([O-])=O is A dicarboxylic acid dianion obtained by deprotonation of the two carboxy goups of bromosuccinic acid. Its functional parent is succinate(2-) . It is also related to or classified as dicarboxylic acid dianion  .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O is A dipeptide formed from L-valine and L-tyrosine residues. It has the role of metabolite . Its functional parent is L-valine . Its functional parent is L-tyrosine . It is also related to or classified as dipeptide  .
The molecule CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@]1(C)O CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@]1(C)O is A macrolide antibiotic that is erythromycin A in which the ketone group has been converted into the corresponding imine and then reduced to give the corresponding amino compound (the 9S diastereoisomer). It is also related to or classified as macrolide antibiotic .
The molecule C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O is A dipeptide formed from L-tryptophan and L-alanine residues. It has the role of metabolite . Its functional parent is L-tryptophan . Its functional parent is L-alanine . It is also related to or classified as dipeptide  .
The molecule CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(O)=O CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(O)=O is A dipeptide formed from L-valine and L-proline residues. It has the role of metabolite . Its functional parent is L-valine . Its functional parent is L-proline . It is also related to or classified as dipeptide  .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O is A dipeptide formed from L-valine and L-asparagine residues. It has the role of metabolite . Its functional parent is L-valine . Its functional parent is L-asparagine . It is also related to or classified as dipeptide  .
The molecule C=[N+]=[N-] C=[N+]=[N-] is the simplest diazo compound, in which a diazo group is attached to a methylene group. It has the role of alkylating agent . It has the role of antineoplastic agent . It has the role of carcinogenic agent . It has the role of poison . It is also related to or classified as diazo compound .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O is A dipeptide formed from L-valine and L-arginine residues. It has the role of metabolite . Its functional parent is L-valine . Its functional parent is L-arginine . It is also related to or classified as dipeptide  .
The molecule CCCCCCCC\C=C/CCCCCCCCCC(=O)NCCO CCCCCCCC\C=C/CCCCCCCCCC(=O)NCCO is A fatty amide obtained by the formal condensation of (11Z)-eicosaenoic acid with ethanolamine. It has the role of metabolite . Its functional parent is (11Z)-icos-11-enoic acid . It is also related to or classified as N-(monounsaturated fatty acyl)ethanolamine  .  It is also related to or classified as N-acylethanolamine  . It is also related to or classified as fatty amide .
The molecule Cc1cc(SCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O Cc1cc(SCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O is an aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively. It has the role of carcinogenic agent . It has the role of PPARbeta/delta agonist .    It is also related to or classified as organofluorine compound  . It is also related to or classified as monocarboxylic acid , aromatic ether , aryl sulfide , 1,3-thiazoles .
The molecule CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O is an organoammonium salt obtained by reaction of gadoteric acid with one equivalent of 1-deoxy-1-(methylamino)-D-glucitol (meglumine). It is used in magnetic resonance imaging (MRI) in brain (intracranial), spine and associated tissues of patients ages 2 years and older, to detect and visualise areas with disruption of the blood brain barrier and/or abnormal vascularity of the central nervous system. It has the role of MRI contrast agent . It is also related to or classified as gadolinium coordination entity , organoammonium salt .
The molecule [O-]C(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O [O-]C(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O is A tetracarboxylic acid anion that is the conjugate base of gadoteric acid. It is also related to or classified as tetracarboxylic acid anion .
The molecule CCCCC\C=C/C\C=C/CCCCCCCCCC([O-])=O CCCCC\C=C/C\C=C/CCCCCCCCCC([O-])=O is A polyunsaturated fatty acid anion that is the conjugate base of (11Z,14Z)-icosadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as icosadienoate  . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as polyunsaturated fatty acid anion .
The molecule OC(=O)\C=C\C=C\CC\C=C\C=C\C(O)=O OC(=O)\C=C\C=C\CC\C=C\C=C\C(O)=O is A dodecatetraenedioic acid with double bonds at positions 2, 4, 8, and 10 (all E isomer). It has the role of metabolite . It is also related to or classified as dodecatetraenedioic acid .
The molecule [H]C(=O)CCCC([H])=CCC=C([H])CCCCC [H]C(=O)CCCC([H])=CCC=C([H])CCCCC is A tetradecadienal with double bonds at positions 5 and 8. It has the role of metabolite . It is also related to or classified as tetradecadienal .
The molecule [H]C(=O)C([H])=CC#CC#CC#C [H]C(=O)C([H])=CC#CC#CC#C is an  enynal  that is nonenal with a double bond at position 2 and triple bonds at positions 4, 6, and 8. It has the role of metabolite . It is also related to or classified as enynal .
The molecule [O-]C(=O)CCCCCCCCCCCCCCC([O-])=O [O-]C(=O)CCCCCCCCCCCCCCC([O-])=O is A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of hexadecanedioic acid; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as saturated dicarboxylic acid dianion(2-)  .
The molecule CCCCCC(N)CC(O)=O CCCCCC(N)CC(O)=O is A beta-amino acid that is caprylic acid which is substituted by an amino group at position 3. It has the role of metabolite . Its functional parent is octanoic acid . It is also related to or classified as beta-amino acid , beta-amino-fatty acid .
The molecule CCCCC[C@@H](N)C(O)=O CCCCC[C@@H](N)C(O)=O is an alpha-amino fatty acid that is heptanoic acid substituted by an amino group at position 2 (the 2R stereoisomer). It has the role of metabolite . Its functional parent is heptanoic acid . It is also related to or classified as alpha-amino fatty acid .
The molecule OC(=O)CCCCCCCCCCCC(O)=O OC(=O)CCCCCCCCCCCC(O)=O is an alpha,omega-dicarboxylic acid that is undecane substituted by carboxylic acid groups at positions C-1 and C-11. It has the role of metabolite . It is also related to or classified as alpha,omega-dicarboxylic acid .
The molecule CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)NCCO CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)NCCO is A fatty amide obtained by the formal condensation of (11Z,14Z)-eicosadienoic acid with ethanolamine. It has the role of metabolite . Its functional parent is (11Z,14Z)-icosadienoic acid . It is also related to or classified as N-(polyunsaturated fatty acyl)ethanolamine  .  It is also related to or classified as N-acylethanolamine  . It is also related to or classified as fatty amide .
The molecule CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCCN(C)C CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCCN(C)C is A member of the class of prostaglandins Falpha that is the  dimethylamine derivative of prostaglandin F2alpha. It has the role of metabolite . Its functional parent is prostaglandin F2alpha . Its functional parent is dimethylamine . It is also related to or classified as tertiary amine  . It is also related to or classified as prostaglandins Falpha  .
The molecule C[NH+](C)C(CCc1ncc(C[C@H]([NH3+])C([O-])=O)[nH]1)C([O-])=O C[NH+](C)C(CCc1ncc(C[C@H]([NH3+])C([O-])=O)[nH]1)C([O-])=O is an amino acid zwitterion obtained by transfer of protons from the amino to the carboxy groups of 2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine. It is also related to or classified as amino-acid zwitterion .
The molecule NCCCCCCCCC(O)=O NCCCCCCCCC(O)=O is A omega-amino fatty acid that is nonanoic acid substituted by an amino group at position 9. It has the role of metabolite . Its functional parent is nonanoic acid . It is also related to or classified as omega-amino fatty acid .
The molecule OC(=O)CCCCCCCCCCCCCCCCCCCCC=C OC(=O)CCCCCCCCCCCCCCCCCCCCC=C is A tricosenoic acid having a double bond at position 22. It has the role of metabolite . It is also related to or classified as tricosenoic acid .
The molecule CC(=O)CCC(=O)CCC(O)=O CC(=O)CCC(=O)CCC(O)=O is A dioxo monocarboxylic acid that is caprylic acid with the two oxo groups at the 4- and 7-positions. It has the role of metabolite . Its functional parent is octanoic acid . It is also related to or classified as dioxo monocarboxylic acid .
The molecule C[N+](C)(C)C(CCc1ncc(C[C@H](N)C(O)=O)[nH]1)C([O-])=O C[N+](C)(C)C(CCc1ncc(C[C@H](N)C(O)=O)[nH]1)C([O-])=O is A L-histidine derivative that is L-histidine substituted at poisition 2 (on the imidazole ring) by a 3-carboxylato-3-(trimethylammonio)propyl group. It is also related to or classified as amino-acid betaine , non-proteinogenic L-alpha-amino acid , L-histidine derivative .
The molecule CCCCCCC\C=C\C=C\CC(O)=O CCCCCCC\C=C\C=C\CC(O)=O is A tridecadienoic acid with double bonds at positions 3 and 5 (both E isomer). It has the role of metabolite . It is also related to or classified as tridecadienoic acid .
The molecule OC(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O OC(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O is A gadolinium coordination entity consisting of DOTA in which the four amino groups are bound to a central gadolinium atom. It is used (as its meglumine salt) in magnetic resonance imaging (MRI) in brain (intracranial), spine and associated tissues of patients ages 2 years and older, to detect and visualise areas with disruption of the blood brain barrier and/or abnormal vascularity of the central nervous system. It has the role of MRI contrast agent . It is a conjugate acid of gadoterate . It is also related to or classified as gadolinium coordination entity .
The molecule [NH3+]Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O [NH3+]Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O is an organic cation obtained by protonation of the exocyclic amino group of 5-aminomethyl-2-thiouridine. It is a conjugate acid of 5-aminomethyl-2-thiouridine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CCCC\C=C/C#CC#CC(O)CCCCCCC(O)=O CCCC\C=C/C#CC#CC(O)CCCCCCC(O)=O is an octadecenediynoic acid that is stearic acid with a cis double bond at position 13, two triple bonds at positions 9 and 11, and a hydroxy group at C-8. It has the role of metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as hydroxy fatty acid , octadecenediynoic acid .
The molecule CC[C@H]1O[C@H]([C@H](O)[C@@H]1OC)n1cc(CN)c(=O)[nH]c1=S CC[C@H]1O[C@H]([C@H](O)[C@@H]1OC)n1cc(CN)c(=O)[nH]c1=S is the nucleoside residue formed from 5-aminomethyl-2-thiouridine with linkages at the 3' and 5' positions. It is also related to or classified as nucleoside residue .
The molecule C[C@H](N)C(=O)NCC(O)=O C[C@H](N)C(=O)NCC(O)=O is A dipeptide formed from L-alanyl and glycine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule C[C@H]([NH3+])C(=O)NCC([O-])=O C[C@H]([NH3+])C(=O)NCC([O-])=O is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Gly. It is also related to or classified as dipeptide zwitterion  .
The molecule CNNC CNNC is A member of the class of hydrazines that is hydrazine in which one of the hydrogens attached to each nitrogen is replaced by a methyl group. A powerful DNA alkylating agent and carcinogen, it is used to induce colon cancer in laboratory rats and mice. It has the role of alkylating agent . It has the role of carcinogenic agent . It is also related to or classified as hydrazines  .
The molecule CCCCCCCC(O)C(O)=O CCCCCCCC(O)C(O)=O is A monohydroxy fatty acid that is nonanoic acid with a hydroxy group substituted at position C-2. It has the role of metabolite . Its functional parent is nonanoic acid . It is also related to or classified as 2-hydroxy fatty acid  . It is also related to or classified as medium-chain fatty acid  .
The molecule [H]C(=CCCCCCCCCC(=O)OC)C1C2CC(OO2)C1C([H])=CC(CC)OO [H]C(=CCCCCCCCCC(=O)OC)C1C2CC(OO2)C1C([H])=CC(CC)OO is A lipid hydroperoxide that consists of 2,3-dioxabicyclo[2.2.1]heptane substituted by a 11-methoxy-11-oxoundec-1-en-1-yl and a 3-hydroperoxypent-1-en-1-yl groups at positions 5 and 6 respectively.  It is also related to or classified as fatty acid methyl ester  . It is also related to or classified as hydroperoxy fatty ester .
The molecule C[NH2+][NH2+]C C[NH2+][NH2+]C is an organic cation resulting from the protonation of both of the nitrogens of 1,2-dimethylhydrazine. It is a conjugate acid of 1,2-dimethylhydrazine . It is also related to or classified as organic cation .
The molecule OC[C@@H](O)[C@@H]1O[C@H]1\C=C\[C@@H]1O[C@H]1[C@H](O)C=C OC[C@@H](O)[C@@H]1O[C@H]1\C=C\[C@@H]1O[C@H]1[C@H](O)C=C is A polyketide that is depudecin with a methyl hydrogen substituted with a hydroxy group. It has the role of metabolite . Its functional parent is depudecin . It is also related to or classified as polyketide  . It is also related to or classified as epoxide  .
The molecule CCCCCC(O)C(O)=O CCCCCC(O)C(O)=O is A monohydroxy fatty acid that is heptanoic acid with a hydroxy group substituted at position C-2. It has the role of metabolite . Its functional parent is heptanoic acid . It is also related to or classified as 2-hydroxy fatty acid  .
The molecule CCCCC\C=C/C[C@@]1(OC(C)=O)C=C(Cl)C(=O)[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O CCCCC\C=C/C[C@@]1(OC(C)=O)C=C(Cl)C(=O)[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O is A  clavulone that is a chlorinated prostanoid isolated from marine corals. It is also related to or classified as methyl ester  .  It is also related to or classified as acetate ester  . It is also related to or classified as clavulone , alpha-chloroketone .
The molecule NCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O NCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O is A nucleoside analogue having 5-aminomethyl-2-thiouracil as the modified nucleobase. Its functional parent is uridine . It is also related to or classified as nucleoside analogue .
The molecule C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Thr. It is also related to or classified as dipeptide zwitterion  .
The molecule C[C@@H](O)[C@H](NC(=O)[C@H](C)N)C(O)=O C[C@@H](O)[C@H](NC(=O)[C@H](C)N)C(O)=O is A dipeptide formed from L-alanyl and L-threonine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule C[C@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C([O-])=O C[C@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C([O-])=O is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-His. It is also related to or classified as dipeptide zwitterion  .
The molecule Cl.Cl.CNNC Cl.Cl.CNNC is A hydrochloride resulting from the reaction of 1,2,dimethylhydrazine with 2 mol eq. of hydrogen chloride. It is also related to or classified as hydrochloride .
The molecule C[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O C[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O is A dipeptide formed from L-alanyl and L-histidine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule COc1cc(ccc1O)C1CC(=O)c2ccc(O)c(OC)c2O1 COc1cc(ccc1O)C1CC(=O)c2ccc(O)c(OC)c2O1 is A dihydroxyflavanone having the two hydroxy groups located at the C-4' and -7 positions and two additional methoxy substituent at the C-3' and 8-positions. It has the role of metabolite . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as 3'-methoxyflavanones  . It is also related to or classified as dimethoxyflavanone , dihydroxyflavanone .
The molecule [NH3+]CC(=O)N[C@@H](CCC([O-])=O)C([O-])=O [NH3+]CC(=O)N[C@@H](CCC([O-])=O)C([O-])=O is A peptide anion that is the conjugate base of Gly-Glu, obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group. It is also related to or classified as peptide anion .
The molecule NCC(=O)N[C@@H](CCC(O)=O)C(O)=O NCC(=O)N[C@@H](CCC(O)=O)C(O)=O is A dipeptide formed from glycyl and L-glutamic acid residues. It has the role of metabolite . It is a conjugate acid of Gly-Glu(1-) . It is also related to or classified as dipeptide  .
The molecule CN(C)C(CCc1ncc(C[C@H](N)C(O)=O)[nH]1)C(O)=O CN(C)C(CCc1ncc(C[C@H](N)C(O)=O)[nH]1)C(O)=O is A L-histidine derivative that is L-histidine substituted at poisition 2 (on the imidazole ring) by a 3-carboxy-3-(dimethylamino)propyl group. It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-histidine derivative .
The molecule CC(C)C[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O CC(C)C[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Leu. It is also related to or classified as dipeptide zwitterion  .
The molecule O=C1c2ccc3occc3c2O\C1=C/c1ccccc1 O=C1c2ccc3occc3c2O\C1=C/c1ccccc1 is A member of the class of aurones that is aurone with a furan ring fused across positions C-6, and -7. It has the role of metabolite . Its functional parent is aurone .  It is also related to or classified as aurones  . It is also related to or classified as cyclic ketone .
The molecule C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O is A dipeptide formed from L-alanyl and L-glutamine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule C[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C([O-])=O C[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C([O-])=O is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Gln. It is also related to or classified as dipeptide zwitterion  .
The molecule Cc1cc(ccc1OCC(O)=O)S(=O)(=O)Cc1sc(nc1C)-c1ccc(cc1)C(F)(F)F Cc1cc(ccc1OCC(O)=O)S(=O)(=O)Cc1sc(nc1C)-c1ccc(cc1)C(F)(F)F is A sulfone resulting from the oxidation of the sulfur attached to one of the phenyl groups of GW 501516. It is a urinary metabolite of GW 501516 (a failed drug candidate and gene doping agent whose use by athletes has been prohibited by the World Anti-Doping Agency), so detection of the sulfone in sports drugs testing can be used to prove GW 501516 doping. Its functional parent is GW 501516 . Its functional parent is GW 501516 sulfoxide .   It is also related to or classified as sulfone  . It is also related to or classified as organofluorine compound  . It is also related to or classified as monocarboxylic acid , aromatic ether , 1,3-thiazoles .
The molecule CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO is A 1-monoglyceride that has stearoyl as the acyl group. It has the role of Caenorhabditis elegans metabolite . It has the role of algal metabolite . It is also related to or classified as 1-acylglycerol 18:0  .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP(O)(O)=O CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP(O)(O)=O is A 1-acyl-sn-glycerol 3-phosphate in which the 1-O-acyl group is specified as arachidonoyl. It has the role of metabolite . Its functional parent is arachidonic acid . It is a conjugate acid of 1-arachidonoyl-sn-glycerol 3-phosphate(2-) . It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate  .
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC is A phosphatidylcholine 32:1 in which the acyl groups at C-1 and C-2 are tetradecanoyl and (11Z)-octadec-11-enoyl respectively. It has the role of mouse metabolite . Its functional parent is cis-vaccenic acid . It is also related to or classified as phosphatidylcholine 32:1  . It is also related to or classified as tetradecanoate ester  .
The molecule O[C@@H](CCc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O O[C@@H](CCc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O is A member of the class of prostaglandins Falpha that is latanoprost free acid with a double bond at position 13. It has the role of metabolite . Its functional parent is latanoprost free acid . It is also related to or classified as prostaglandins Falpha  .
The molecule CC(C)=CCc1c2OC(C)(C)C=Cc2cc2C(=O)C[C@H](Oc12)c1c(O)c(O)cc(c1O)-c1ccc(O)cc1O CC(C)=CCc1c2OC(C)(C)C=Cc2cc2C(=O)C[C@H](Oc12)c1c(O)c(O)cc(c1O)-c1ccc(O)cc1O is an extended flavonoid that consists of (2S)-flavanone substituted by hydroxy groups at positions 2', 3', and 6', a 2,4-dihyroxyphenyl group at position 5', a prenyl group at position 8 and a gem-dimethylpyran ring fused across positions 6 and 7. It has the role of metabolite . It is also related to or classified as resorcinols , trihydroxyflavanone , extended flavonoid , pyranochromane .
The molecule CC(C)C[C@H](NC(=O)[C@H](C)N)C(O)=O CC(C)C[C@H](NC(=O)[C@H](C)N)C(O)=O is A dipeptide formed from L-alanyl and L-leucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O is A dipeptide formed from L-alanyl and L-aspartic acid residues. It has the role of metabolite . It is a conjugate acid of Ala-Asp(1-) . It is also related to or classified as dipeptide  .
The molecule Cc1cc(ccc1OCC(O)=O)S(=O)Cc1sc(nc1C)-c1ccc(cc1)C(F)(F)F Cc1cc(ccc1OCC(O)=O)S(=O)Cc1sc(nc1C)-c1ccc(cc1)C(F)(F)F is A sulfoxide resulting from the oxidation of the sulfur attached to one of the phenyl groups of GW 501516. It is a urinary metabolite of GW 501516 (a failed drug candidate and gene doping agent whose use by athletes has been prohibited by the World Anti-Doping Agency), so detection of the sulfoxide in sports drugs testing can be used to prove GW 501516 doping. Its functional parent is GW 501516 . It is also related to or classified as sulfoxide  .   It is also related to or classified as organofluorine compound  . It is also related to or classified as monocarboxylic acid , aromatic ether , 1,3-thiazoles .