Identification Common Name (2S,6R,10R)-Trimethyl-2E-hendecenoyl-CoA Class Small Molecule Description (2S,6R,10R)-trimethyl-2E-hendecenoyl-CoA is an acyl-CoA with (2S,6R,10R)-trimethyl-2E-hendecenoate moiety. Acyl-CoA (or formyl-CoA) is a coenzyme involved in the metabolism of fatty acids. It is a temporary compound formed when coenzyme A (CoA) attaches to the end of a long-chain fatty acid inside living cells. The compound undergoes beta oxidation, forming one or more molecules of acetyl-CoA. This, in turn, enters the citric acid cycle, eventually forming several molecules of ATP. Contaminant Sources Contaminant Type Not Available Chemical Structure Synonyms Value Source (2,6R,10)-Trimethyl-(2E)-undecenoyl-CoA HMDB (2,6R,10)-Trimethyl-(2E)-undecenoyl-coenzyme A HMDB (2E,6R)-2,6,10-Trimethylhendecenoyl-CoA HMDB (2E,6R)-2,6,10-Trimethylhendecenoyl-coenzyme A HMDB (2E,6R)-2,6,10-Trimethylundecanoyl-CoA HMDB (2E,6R)-2,6,10-Trimethylundecanoyl-coenzyme A HMDB (6R)-Trimethyl-trans-2-hendecenoyl-CoA HMDB (6R)-Trimethyl-trans-2-hendecenoyl-coenzyme A HMDB 4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(2,6,10-trimethylundec-2-enoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate HMDB 4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(2,6,10-trimethylundec-2-enoyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate HMDB 4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(2,6,10-trimethylundec-2-enoyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid HMDB
Chemical Formula C35 H56 N7 O17 P3 S Average Molecular Mass 971.842 g/mol Monoisotopic Mass 971.267 g/mol CAS Registry Number Not Available IUPAC Name {[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2,6,10-trimethylundec-2-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid Traditional Name [5-(6-aminopurin-9-yl)-4-hydroxy-2-({[hydroxy([hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2,6,10-trimethylundec-2-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxyphosphonic acid SMILES CC(C)CCC[C@H](C)CC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)C(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)N1C=NC2=C1N=CN=C2N InChI Identifier InChI=1S/C35H60N7O17P3S/c1-21(2)9-7-10-22(3)11-8-12-23(4)34(47)63-16-15-37-25(43)13-14-38-32(46)29(45)35(5,6)18-56-62(53,54)59-61(51,52)55-17-24-28(58-60(48,49)50)27(44)33(57-24)42-20-41-26-30(36)39-19-40-31(26)42/h12,19-22,24,27-29,33,44-45H,7-11,13-18H2,1-6H3,(H,37,43)(H,38,46)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b23-12+/t22-,24+,27-,28-,29?,33+/m0/s1 InChI Key IBMCVYHEOHFMLP-SDDAOAITSA-J 
