mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[NH3+]</smiles> is A phosphatidylethanolamine 36:1 zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-oleoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as phosphatidylethanolamine 36:1 zwitterion .
The molecule <smiles>COCCOCCOCCO</smiles> is A hydroxypolyether that is the monomethyl ether derivative of triethylene glycol. Metabolite observed in cancer metabolism. It has the role of human metabolite. Its functional parent is triethylene glycol. It is also related to or classified as hydroxypolyether .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCCN</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituents at positions 1 and 2 are specified as oleoyl and stearoyl respectively. Its functional parent is oleic acid. Its functional parent is octadecanoic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>CC(C)CC(C)CC(C)CC=C</smiles> is an alkene that is 1-nonene substituted by methyl groups at positions 4, 6 and 8 respectively. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as alkene .
The molecule <smiles>CCC\C=C\CC(C)CCC</smiles> is an alkene that is (4E)-dec-4-ene with a methyl group at position 7. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as alkene .
The molecule <smiles>CCCC(C)CCCCC(C)CC</smiles> is an alkane that is undecane substituted by methyl groups at positions 3 and 8. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as alkane .
The molecule <smiles>CC(C)C(N)C(C)C</smiles> is A primary aliphatic amine that is pentan-3-amine substituted by methyl groups at positions 2 and 4. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as primary aliphatic amine .
The molecule <smiles>CCCCCCCc1cc(O)cc(=O)o1</smiles> is A 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and heptyl groups respectively. It is also related to or classified as heteroaryl hydroxy compound, 2-pyranones.
The molecule <smiles>CCC(C)CCC(C)CC(C)C(C)C</smiles> is an alkane that is decane substituted by methyl groups at positions 2, 3, 5 and 8. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as alkane .
The molecule <smiles>CCC(C)CCCCC(C)CCCC(C)CCCC(C)C</smiles> is A long-chain alkane that is heptadecane substituted by methyl groups at positions 2, 6, 10 and 15. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as long-chain alkane .
The molecule <smiles>CC(C)CCCC(C)CCCC(C)CCO</smiles> is A fatty alcohol that is 1-dodecanol substituted by methyl groups at positions 3, 7 and 11. Metabolite observed in cancer metabolism. It has the role of plant metabolite. It has the role of human metabolite. It is also related to or classified as primary alcohol . It is also related to or classified as medium-chain fatty alcohol, alkyl alcohol.
The molecule <smiles>CCC(N)CC</smiles> is A primary aliphatic amine that is pentane substituted by an amino group at position 3. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as primary aliphatic amine .
The molecule <smiles>CCCCCCCCCCCCCCCc1oc(=O)cc(O)c1C</smiles> is A 2-pyranone in which the hydrogens at positions 4, 5 and 6 of 2H-pyran-2-one are replaced by hydroxy, methyl and pentadecyl groups respectively. It is also related to or classified as heteroaryl hydroxy compound, 2-pyranones.
The molecule <smiles>CCC(C)(C)N</smiles> is A primary aliphatic amine that is butan-2-amine substituted by a methyl group at position 2. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as primary aliphatic amine .
The molecule <smiles>CCCCCCCC(C)CCC</smiles> is an alkane that is undecane substituted by a methyl group at position 4. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as alkane .
The molecule <smiles>CCC(C)(O)CCCC(C)C</smiles> is A fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism. It has the role of human metabolite.  It is also related to or classified as tertiary alcohol . It is also related to or classified as medium-chain fatty alcohol, alkyl alcohol.
The molecule <smiles>O[C@@H]([C@@H]1OC[C@H](O)[C@H]1O)C(O)=O</smiles> is an anhydrohexose obtained by formation of a ring across the 3 and 6 positions of L-galactonic acid. It has the role of marine metabolite. Its functional parent is L-galactonic acid. It is also related to or classified as anhydrohexose . It is also related to or classified as carbohydrate acid.
The molecule <smiles>CCC(C)C\C=C\C(C)C</smiles> is an  alkene that is (3E)-oct-3-ene substituted by methyl groups at positions 2 and 6. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as alkene .
The molecule <smiles>NC(=N)NCCCC(=N)C(O)=O</smiles> is A dehydroamino acid that is arginine in which the amino group has been oxidised to the corresponding imine. It has the role of bacterial metabolite.    It is also related to or classified as ketimine . It is also related to or classified as arginine derivative, dehydroamino acid, guanidines.
The molecule <smiles>CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O</smiles> is A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups. It has the role of uricosuric drug.  It is also related to or classified as sulfonamide . It is also related to or classified as benzoic acids.
The molecule <smiles>CCCCCCCCCCCCCCCCCc1oc(=O)cc(O)c1C</smiles> is A 2-pyranone in which the hydrogens at positions 4, 5 and 6 of 2H-pyran-2-one are replaced by hydroxy, methyl and heptadecyl groups respectively. It is also related to or classified as heteroaryl hydroxy compound, 2-pyranones.
The molecule <smiles>OC[C@H]1CCCN1</smiles> is the D-enantiomer of prolinol. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as prolinol .
The molecule <smiles>CCCC(C)CC(C)CC</smiles> is an alkane that is  octane substituted by methyl groups at positions 3 and 5. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as alkane .
The molecule <smiles>CN(C)C(C)=O</smiles> is A member of the class of  acetamides that is  acetamide in which the hydrogens attached to the N atom have been replaced by two methyl groups respectively. Metabolite observed in cancer metabolism. It has the role of human metabolite. Its functional parent is acetamide.  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as acetamides.
The molecule <smiles>CC(C)NCC(C)(C)N</smiles> is A primary aliphatic amine that is propan-1,2-diamine substituted by an isopropyl group at N(1) and a methyl group at position 2. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as primary aliphatic amine . It is also related to or classified as secondary aliphatic amine .
The molecule <smiles>CCC(C)NC</smiles> is A secondary aliphatic amine that is sec-butylamine substituted by a methyl group at the N atom. Metabolite observed in cancer metabolism. It has the role of human metabolite. Its functional parent is sec-butylamine. It is also related to or classified as secondary aliphatic amine .
The molecule <smiles>CCCCCCCCCCCCCCC[C@H](C)C(O)=O</smiles> is A methyl-branched fatty acid that is heptadecanoic (margaric) acid bearing a methyl substituent at position 2 (the S-enantiomer). Its functional parent is heptadecanoic acid. It is a conjugate acid of (2S)-2-methylheptadecanoate. 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)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C</smiles> is A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood. It has the role of antioxidant. It has the role of anti-inflammatory drug. It has the role of cardiovascular drug. It has the role of antilipemic drug. It has the role of anticholesteremic drug. It is also related to or classified as polyphenol, dithioketal.
The molecule <smiles>CC(C)C(=O)OC(=O)C(C)C</smiles> is an acyclic carboxylic anhydride of  isobutyric acid. Metabolite observed in cancer metabolism. It has the role of human metabolite. Its functional parent is isobutyric acid. It is also related to or classified as acyclic carboxylic anhydride.
The molecule <smiles>CCCCCCCCCCCCCCCCCCOC(=O)C(=O)OCC=C</smiles> is A  diester obtained by the formal condensation of both the carboxy group of oxalic acid with the hydroxy groups of allyl alcohol and  stearyl alcohol respectively. Metabolite observed in cancer metabolism. It has the role of human metabolite. Its functional parent is allyl alcohol. Its functional parent is oxalic acid. Its functional parent is octadecan-1-ol.  It is also related to or classified as diester . It is also related to or classified as dicarboxylic acids and O-substituted derivatives.
The molecule <smiles>COC(=O)C(=O)c1ccccc1</smiles> is the methyl ester of  phenylglyoxylic acid with methanol. Metabolite observed in cancer metabolism. It has the role of human metabolite. Its functional parent is phenylglyoxylic acid. It is also related to or classified as methyl ester . It is also related to or classified as alpha-ketoester .
The molecule <smiles>CCCCCCCCCCCCCCC[C@H](C)C([O-])=O</smiles> is A 2-methyl fatty acid anion that is the conjugate base of (2S)-2-methyl-heptadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as long-chain fatty acid anion . It is also related to or classified as 2-methyl fatty acid anion .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl</smiles> is an  organosilicon compound that is docosylsilane in which the hydrogens attached to the Si atom have been replaced by chloro groups. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as chlorine molecular entity, organosilicon compound.
The molecule <smiles>CCCCCC(C)CCC=C</smiles> is an alkene that is dec-1-ene substituted by a methyl group at position 5. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as alkene .
The molecule <smiles>CN(C)C(=O)N(C)C</smiles> is A member of the class of ureas that is urea substituted by methyl groups at positions 1, 1, 3 and 3 respectively. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as ureas.
The molecule <smiles>O=S(CC1C(C1c1ccccc1)c1ccccc1)c1ccccc1</smiles> is A sulfoxide in which the S atom is substituted by a phenyl and (2,3-diphenylcyclopropyl)methyl group. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as sulfoxide . It is also related to or classified as benzenes, cyclopropanes.
The molecule <smiles>CCCCCCC(C)CC(C)CCC</smiles> is an alkane that is  dodecane substituted by methyl groups at positions 4 and 6. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as alkane .
The molecule <smiles>CCOC(=O)C(=O)c1ccccc1</smiles> is the ethyl ester of phenylglyoxylic acid. Metabolite observed in cancer metabolism. It has the role of human metabolite. Its functional parent is phenylglyoxylic acid. It is also related to or classified as ethyl ester .
The molecule <smiles>CCC(C)CCC(CO)C(C)C</smiles> is A primary alcohol that is 1-heptanol substituted by an isopropyl group at position 2 and a methyl group at position 5. It has the role of human metabolite. It is also related to or classified as primary alcohol .
The molecule <smiles>C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C</smiles> is an  organosiloxane that is pentasiloxane in which all the hydrogens have been replaced by methyl groups. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as organosiloxane.
The molecule <smiles>CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC</smiles> is an organic disulfide that results from the formal oxidative dimerisation of 2-methylundecane-2-thiol. It has the role of human metabolite. It is also related to or classified as organic disulfide .
The molecule <smiles>CCCCCCCCCCCC(C)C</smiles> is A long-chain alkane that is tridecane substituted by a methyl group at position 2. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as long-chain alkane .
The molecule <smiles>C=COC(=O)c1ccccc1</smiles> is an  enoate ester obtained by the formal condensation of the carboxy group of benzoic acid with ethenol. Metabolite observed in cancer metabolism. It has the role of human metabolite. It is also related to or classified as benzoate ester.
The molecule <smiles>CCCNC(=O)c1ccccc1</smiles> is A member of the class the class of benzamides that is benzamide substituted by a propyl group at the N atom. Metabolite observed in cancer metabolism. It has the role of human metabolite. Its functional parent is benzamide. It is also related to or classified as benzamides.
The molecule <smiles>CC1(NCCS1)C(N)=O</smiles> is A  thiazolidinecarboxamide that is 1,3-thiazolidine-2-carboxamide substituted by a methyl group at position 2. It has the role of human metabolite. It is also related to or classified as thiazolidinecarboxamide.
The molecule <smiles>CCC(C)CCC(C)CCCCC(C)C</smiles> is an alkane that is dodecane substituted by methyl groups at positions 2, 7 and 10. It has the role of human metabolite. It is also related to or classified as alkane .
The molecule <smiles>CC(C)NCCN</smiles> is A primary aliphatic amine that is ethane-1,2-diamine substituted by an isopropyl group at the N atom. It has the role of human metabolite. It is also related to or classified as primary aliphatic amine . It is also related to or classified as secondary aliphatic amine .
The molecule <smiles>CCCCCC(C)CC(C)CCC</smiles> is an  alkane that is  undecane substituted by methyl groups at positions 4 and 6. It has the role of human metabolite. It is also related to or classified as alkane .
The molecule <smiles>CCCCNC=O</smiles> is A member of the class of  formamides that is  formamide substituted by a butyl group at the N atom. It has the role of human metabolite. Its functional parent is formamide. It is also related to or classified as formamides.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC(C)C</smiles> is A fatty acid ester obtained by the formal condensation of carboxy group of palmitic acid with  propan-2-ol. Metabolite observed in cancer metabolism. It has the role of human metabolite. Its functional parent is hexadecanoic acid. It is also related to or classified as isopropyl ester . It is also related to or classified as fatty acid ester .
The molecule <smiles>CC(CNC(S)=S)NC(S)=S</smiles> is A member of the class or dithiocarbamic acids resulting from the formal addition of a molecule of carbon disulfide to each of the nitrogens of propylenediamine. Its functional parent is propylenediamine. It is a conjugate acid of propylene 1,2-bis(dithiocarbamate). It is also related to or classified as dithiocarbamic acids .
The molecule <smiles>CCN(CC)CCNC(=O)c1ccc(N)cc1</smiles> is A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group.  It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias. It has the role of anti-arrhythmia drug. It has the role of sodium channel blocker. It has the role of platelet aggregation inhibitor. It is also related to or classified as benzamides.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC</smiles> is A long-chain alkane consisting of an unbranched chain of 44 carbon atoms. It has the role of human metabolite. It is also related to or classified as long-chain alkane .
The molecule <smiles>CN1CCN(CCN)CC1</smiles> is A N-alkylpiperazine that is piperazine substituted by a methyl and a 2-aminoethyl group at the N atoms respectively. It has the role of human metabolite. It is also related to or classified as N-alkylpiperazine.
The molecule <smiles>CCCCCCCCCCCCC(C)O</smiles> is A fatty alcohol that is tetradecane substituted by a hydroxy group at position 2. It has the role of human metabolite. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as tetradecanol.
The molecule <smiles>CCCC(C)(CC)OC</smiles> is an ether consists of a hexane chain substituted by a methoxy and a methyl group at position 3. It has the role of human metabolite. It is also related to or classified as ether .
The molecule <smiles>CCCCCCCCCCCCCC(=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 1- and 2-acyl groups are specified as myristoyl and oleoyl respectively. Its functional parent is oleic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylethanolamine 32:1 zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-myristoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as phosphatidylethanolamine 32:1 zwitterion . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>[H+].[Cl-].CCN(CC)CCNC(=O)c1ccc(N)cc1</smiles> is A hydrochloride which has procainamide as the amino component. It has the role of anti-arrhythmia drug. It is also related to or classified as hydrochloride.
The molecule <smiles>N[C@@H](CSc1c(C[C@H](N)C(O)=O)ccc(O)c1O)C(O)=O</smiles> is an L-tyrosine derivative that is L-DOPA in which the hydrogen at position 2 on the phenyl ring is replaced by a cysteinyl group. Found in the urine of patients with melanoma. It has the role of human urinary metabolite. Its functional parent is L-dopa. It is also related to or classified as diamine .  It is also related to or classified as catechols . It is also related to or classified as L-tyrosine derivative, aryl sulfide, amino dicarboxylic acid, S-organyl-L-cysteine, S-conjugate.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)C([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of (14Z,17Z,20Z,23Z,26Z)-2-hydroxydotriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion . It is also related to or classified as ultra-long-chain fatty acid anion . It is also related to or classified as 2-hydroxy fatty acid anion .
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)C([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of (12Z,15Z,18Z,21Z,24Z)-2-hydroxytriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion . It is also related to or classified as ultra-long-chain fatty acid anion . It is also related to or classified as 2-hydroxy fatty acid anion .
The molecule <smiles>NC(Cc1cc(O)c2N=C(CSc2c1)C(O)=O)C(O)=O</smiles> is A member of the class of benzothiazines that is 2H-1,4-benzothiazine-3-carboxylic acid bearing additional hydroxy and 2-amino-2-carboxyethyl substituents at positions 5 and 7 respectively. It has the role of human metabolite. It is also related to or classified as phenols . It is also related to or classified as dicarboxylic acid, benzothiazine, non-proteinogenic alpha-amino acid.
The molecule <smiles>CCCCCCCCCCCCCC(=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 the hydroxy group of cholesterol with the carboxy group of myristic acid. It has the role of mouse metabolite. It is also related to or classified as cholesteryl ester .
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(O)C([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of (13Z,16Z,19Z,22Z)-2-hydroxyoctacosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion . It is also related to or classified as ultra-long-chain fatty acid anion . It is also related to or classified as 2-hydroxy fatty acid anion .
The molecule <smiles>[NH3+][C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C([O-])=O</smiles> is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of anticapsin; major species at pH 7.3. It has the role of antimicrobial agent. It has the role of antimetabolite. It has the role of bacterial metabolite. It has the role of EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor. It is also related to or classified as L-alpha-amino acid zwitterion .
The molecule <smiles>CCCCCCCC(=O)OC[C@@H](O)CO</smiles> is A 1-acyl-sn-glycerol that has octanoyl as the 1-acyl group. It is also related to or classified as 1-acyl-sn-glycerol . It is also related to or classified as 1-monooctanoylglycerol .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(O)C([O-])=O</smiles> is A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxytricosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is tricosanoate. It is also related to or classified as very long-chain fatty acid anion . It is also related to or classified as 2-hydroxy fatty acid anion .
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)C(O)=O</smiles> is an ultra-long-chain fatty acid that is (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid substituted at position 2 by a hydroxy group. Its functional parent is (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid. It is a conjugate acid of (14Z,17Z,20Z,23Z,26Z)-2-hydroxydotriacontapentaenoate. It is also related to or classified as 2-hydroxy fatty acid .  It is also related to or classified as ultra-long-chain fatty acid . It is also related to or classified as hydroxy polyunsaturated fatty acid.
The molecule <smiles>CCCCCCCCCCCCCCC(=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  pentadecanoic acid. It has the role of mouse metabolite. Its functional parent is pentadecanoic acid. It is also related to or classified as cholesteryl ester .
The molecule <smiles>CCCCCCCC(=O)OCC(O)CO</smiles> is A rac-1-monoacylglycerol comprising equal amounts of 1-octanoyl-sn-glycerol and 3-octanoyl-sn-glycerol. It is also related to or classified as rac-1-monoacylglycerol .