CHEBI:84617 - 3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA

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ChEBI Name 3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA ChEBI ID CHEBI:84617 Definition A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxo-23,24-bisnorchola-1,4-dien-22-oic 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 C43H64N7O18P3S Net Charge 0 Average Mass 1091.99100 Monoisotopic Mass 1091.32414 InChI InChI=1S/C43H64N7O18P3S/c1-23(27-8-9-28-26-7-6-24-18-25(51)10-13-42(24,4)29(26)11-14-43(27,28)5)40(56)72-17-16-45-31(52)12-15-46-38(55)35(54)41(2,3)20-65-71(62,63)68-70(60,61)64-19-30-34(67-69(57,58)59)33(53)39(66-30)50-22-49-32-36(44)47-21-48-37(32)50/h10,13,18,21-23,26-30,33-35,39,53-54H,6-9,11-12,14-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t23-,26-,27+,28-,29-,30+,33+,34+,35-,39+,42-,43+/m0/s1 InChIKey NNUYEQLFHWCXPC-ZKTJOKCMSA-N SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)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 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-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA (CHEBI:84617) is a steroidal acyl-CoA (CHEBI:52135) 3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA (CHEBI:84617) is conjugate acid of 3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA(4−) (CHEBI:83793) Incoming 3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA(4−) (CHEBI:83793) is conjugate base of 3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA (CHEBI:84617) Synonym Source 3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-coenzyme A ChEBI Registry Number Type Source 22568818 Reaxys Registry Number Reaxys Citation Type Source 21987574 PubMed citation Europe PMC Last Modified 02 February 2015