CHEBI:23203 - cholestenoyl-CoA

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ChEBI Name cholestenoyl-CoA
ChEBI ID CHEBI:23203
Definition A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any cholestenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C48H76N7O18P3S
Net Charge 0
Average Mass 1164.150
Monoisotopic Mass 1163.41804
InChI InChI=1S/C48H76N7O18P3S/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/h22,25-28,31-35,38-40,44,58-59H,7-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/t27-,28+,31+,32-,33+,34+,35-,38-,39-,40+,44-,47+,48-/m1/s1
InChIKey QHTNQHCVKNUPEI-ZAXAEIALSA-N
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@@H](C)CCC[C@]([C@@]4([C@]5(CC[C@@]6([C@]7(CCC(C=C7CC[C@]6([C@@]5(CC4)[H])[H])=O)C)[H])C)[H])(C)[H])=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O
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 cholestenoyl-CoA (CHEBI:23203) is a steroidal acyl-CoA (CHEBI:52135)
Synonyms Sources
(25S)-3-oxocholest-4-en-26-oyl-CoA PDBeChem
cholestenoyl-CoAs ChEBI
cholestenoyl-coenzyme A ChEBI
cholestenoyl-coenzyme As ChEBI
Manual Xref Database
5JB PDBeChem
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Last Modified
21 November 2019