CHEBI:85909 - 9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA

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ChEBI Name 9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA
ChEBI ID CHEBI:85909
ChEBI ASCII Name 9alpha-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA
Definition A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 9α-hydroxy-3-oxo-23,24-bisnorchola-4-en-22-oic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C43H66N7O19P3S
Net Charge 0
Average Mass 1110.00600
Monoisotopic Mass 1109.33471
InChI InChI=1S/C43H66N7O19P3S/c1-23(26-8-9-27-28-7-6-24-18-25(51)10-12-42(24,5)43(28,57)14-13-41(26,27)4)39(56)73-17-16-45-30(52)11-15-46-37(55)34(54)40(2,3)20-66-72(63,64)69-71(61,62)65-19-29-33(68-70(58,59)60)32(53)38(67-29)50-22-49-31-35(44)47-21-48-36(31)50/h18,21-23,26-29,32-34,38,53-54,57H,6-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/t23-,26+,27-,28-,29+,32+,33+,34-,38+,41+,42-,43+/m0/s1
InChIKey BTANWBCJTFWTDB-ISEMAQJJSA-N
SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(O)CC[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 9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (CHEBI:85909) is a steroidal acyl-CoA (CHEBI:52135)
9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (CHEBI:85909) is conjugate acid of 9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA(4−) (CHEBI:85548)
Incoming 9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA(4−) (CHEBI:85548) is conjugate base of 9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (CHEBI:85909)
Synonym Source
9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-coenzyme A ChEBI
Last Modified
01 June 2015