CHEBI:87141 - 3-oxocholesta-4,24-dien-26-oyl-CoA

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ChEBI Name 3-oxocholesta-4,24-dien-26-oyl-CoA ChEBI ID CHEBI:87141 Definition A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxocholesta-4,24-dien-26-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 C48H74N7O18P3S Net Charge 0 Average Mass 1162.12400 Monoisotopic Mass 1161.40239 InChI InChI=1S/C48H74N7O18P3S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)77-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-70-76(67,68)73-75(65,66)69-23-35-39(72-74(62,63)64)38(58)44(71-35)55-26-54-37-41(49)52-25-53-42(37)55/h9,22,25-27,31-35,38-40,44,58-59H,7-8,10-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/t27-,31+,32-,33+,34+,35-,38-,39-,40+,44-,47+,48-/m1/s1 InChIKey GPXOWXUADRQDFI-MVJCTYHBSA-N SMILES C[C@H](CCC=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 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-oxocholesta-4,24-dien-26-oyl-CoA (CHEBI:87141) is a steroidal acyl-CoA (CHEBI:52135) 3-oxocholesta-4,24-dien-26-oyl-CoA (CHEBI:87141) is conjugate acid of 3-oxocholesta-4,24-dien-26-oyl-CoA(4−) (CHEBI:86414) Incoming 3-oxocholesta-4,24-dien-26-oyl-CoA(4−) (CHEBI:86414) is conjugate base of 3-oxocholesta-4,24-dien-26-oyl-CoA (CHEBI:87141) Synonym Source 3-oxocholesta-4,24-dien-26-oyl-coenzyme A ChEBI Manual Xref Database CPD-13692 MetaCyc View more database links Last Modified 24 July 2015