CHEBI:71436 - 3-oxoisooctadecanoyl-CoA

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ChEBI Name 3-oxoisooctadecanoyl-CoA ChEBI ID CHEBI:71436 Definition A methyl-branched fatty acyl-CoA obtained from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxoisooctadecanoic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C39H68N7O18P3S Net Charge 0 Average Mass 1047.98000 Monoisotopic Mass 1047.35544 InChI InChI=1S/C39H68N7O18P3S/c1-26(2)15-13-11-9-7-5-6-8-10-12-14-16-27(47)21-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(3,4)23-61-67(58,59)64-66(56,57)60-22-28-33(63-65(53,54)55)32(50)38(62-28)46-25-45-31-35(40)43-24-44-36(31)46/h24-26,28,32-34,38,50-51H,5-23H2,1-4H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/t28-,32-,33-,34+,38-/m1/s1 InChIKey VWIBFNJZEONKKS-LFZQUHGESA-N SMILES CC(C)CCCCCCCCCCCCC(=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 Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-oxoisooctadecanoyl-CoA (CHEBI:71436) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348) 3-oxoisooctadecanoyl-CoA (CHEBI:71436) is a long-chain 3-oxo-fatty acyl-CoA (CHEBI:137599) 3-oxoisooctadecanoyl-CoA (CHEBI:71436) is a methyl-branched fatty acyl-CoA (CHEBI:25271) 3-oxoisooctadecanoyl-CoA (CHEBI:71436) is conjugate acid of 3-oxoisooctadecanoyl-CoA(4−) (CHEBI:71426) Incoming 3-oxoisooctadecanoyl-CoA(4−) (CHEBI:71426) is conjugate base of 3-oxoisooctadecanoyl-CoA (CHEBI:71436) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(16-methyl-3-oxoheptadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 16-methyl-3-oxoheptadecanoyl-CoA ChEBI 16-methyl-3-oxoheptadecanoyl-coenzyme A ChEBI 3-ketoisooctadecanoyl-CoA ChEBI 3-ketoisooctadecanoyl-coenzyme A ChEBI 3-oxoisooctadecanoyl-coenzyme A ChEBI 3-oxoisostearoyl-CoA ChEBI 3-oxoisostearoyl-coenzyme A ChEBI Last Modified 04 July 2017