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CHEBI:88007 - 3-oxooleoyl-CoA

ChEBI IDCHEBI:88007
ChEBI Name3-oxooleoyl-CoA
Stars
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxooleic acid.
Last Modified5 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC39H66N7O18P3S
Net Charge0
Average Mass1045.977
Monoisotopic Mass1045.33979
SMILESCCCCCCCC/C=C\CCCCCC(=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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h11-12,25-26,28,32-34,38,50-51H,4-10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b12-11-/t28-,32-,33-,34+,38-/m1/s1
InChIKeyAVEYYKDEKGJVBU-BPMMELMSSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-oxooleoyl-CoA (CHEBI:88007) has functional parent oleic acid (CHEBI:16196)
3-oxooleoyl-CoA (CHEBI:88007) is a long-chain 3-oxo-fatty acyl-CoA (CHEBI:137599)
3-oxooleoyl-CoA (CHEBI:88007) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
3-oxooleoyl-CoA (CHEBI:88007) is conjugate acid of 3-oxooleoyl-CoA(4−) (CHEBI:87695)
Incoming Relation(s)
3-oxooleoyl-CoA(4−) (CHEBI:87695) is conjugate base of 3-oxooleoyl-CoA (CHEBI:88007)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(9Z)-3-oxooctadecan-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(9Z)-3-oxooctadecenoyl-CoAChEBI
(9Z)-3-oxooctadecenoyl-coenzyme AChEBI
3-oxooleoyl-coenzyme AChEBI