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CHEBI:87695 - 3-oxooleoyl-CoA(4−)

ChEBI IDCHEBI:87695
ChEBI Name3-oxooleoyl-CoA(4−)
Stars
ASCII Name3-oxooleoyl-CoA(4-)
DefinitionA monounsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of 3-oxooleoyl-CoA; major species at pH 7.3.
Last Modified4 July 2017
Submitterlaimo
DownloadsMolfile
FormulaC39H62N7O18P3S
Net Charge-4
Average Mass1041.945
Monoisotopic Mass1041.31068
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)/p-4/b12-11-/t28-,32-,33-,34+,38-/m1/s1
InChIKeyAVEYYKDEKGJVBU-BPMMELMSSA-J
ChEBI Ontology
Outgoing Relation(s)
3-oxooleoyl-CoA(4−) (CHEBI:87695) is a long-chain 3-oxo-fatty acyl-CoA(4−) (CHEBI:136758)
3-oxooleoyl-CoA(4−) (CHEBI:87695) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
3-oxooleoyl-CoA(4−) (CHEBI:87695) is conjugate base of 3-oxooleoyl-CoA (CHEBI:88007)
Incoming Relation(s)
3-oxooleoyl-CoA (CHEBI:88007) is conjugate acid of 3-oxooleoyl-CoA(4−) (CHEBI:87695)
Synonyms  Source
(9Z)-3-oxooctadecenoyl-coenzyme A(4−)ChEBI
(9Z)-3-oxooctadecenoyl-CoA(4−)ChEBI
3-oxooleoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
3-oxo-(9Z-octadecenoyl)-CoAUniProt