mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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 .