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CHEBI:87707 - (5Z)-3-oxotetradecenoyl-CoA(4−)

ChEBI IDCHEBI:87707
ChEBI Name(5Z)-3-oxotetradecenoyl-CoA(4−)
Stars
ASCII Name(5Z)-3-oxotetradecenoyl-CoA(4-)
DefinitionA 3-oxo-fatty acyl CoA(4−) obtained by deprotonation of phosphate and diphosphate OH groups of (5Z)-3-oxotetradecenoyl-CoA; major species at pH 7.3.
Last Modified1 October 2015
Submitterlaimo
DownloadsMolfile
FormulaC35H54N7O18P3S
Net Charge-4
Average Mass985.837
Monoisotopic Mass985.24808
SMILESCCCCCCCC/C=C\CC(=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/C35H58N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h11-12,21-22,24,28-30,34,46-47H,4-10,13-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b12-11-/t24-,28-,29-,30+,34-/m1/s1
InChIKeyKADPWMJVUVWQNK-STFCKWFXSA-J
ChEBI Ontology
Outgoing Relation(s)
(5Z)-3-oxotetradecenoyl-CoA(4−) (CHEBI:87707) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(5Z)-3-oxotetradecenoyl-CoA(4−) (CHEBI:87707) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(5Z)-3-oxotetradecenoyl-CoA(4−) (CHEBI:87707) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
(5Z)-3-oxotetradecenoyl-CoA(4−) (CHEBI:87707) is conjugate base of (5Z)-3-oxotetradecenoyl-CoA (CHEBI:88080)
Incoming Relation(s)
(5Z)-3-oxotetradecenoyl-CoA (CHEBI:88080) is conjugate acid of (5Z)-3-oxotetradecenoyl-CoA(4−) (CHEBI:87707)
Synonyms  Source
(5Z)-3-ketotetradecenoyl-CoA(4−)ChEBI
(5Z)-3-oxotetradecenoyl-coenzyme A(4−)ChEBI
(5Z)-3-ketotetradecenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
3-oxo-(5Z-tetradecenoyl)-CoAUniProt