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CHEBI:136578 - 15-oxo-ETE-CoA(4−)

ChEBI IDCHEBI:136578
ChEBI Name15-oxo-ETE-CoA(4−)
Stars
ASCII Name15-oxo-ETE-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate functions of 15-oxo-HETE-CoA; major species at pH 7.3.
Last Modified20 June 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC41H60N7O18P3S
Net Charge-4
Average Mass1063.951
Monoisotopic Mass1063.29503
SMILESCCCCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCC(=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/C41H64N7O18P3S/c1-4-5-15-18-29(49)19-16-13-11-9-7-6-8-10-12-14-17-20-32(51)70-24-23-43-31(50)21-22-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h6-7,10-13,16,19,27-28,30,34-36,40,52-53H,4-5,8-9,14-15,17-18,20-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b7-6-,12-10-,13-11-,19-16+/t30-,34-,35-,36+,40-/m1/s1
InChIKeyFMJJHBYFPWVAAF-WUNWMFABSA-J
ChEBI Ontology
Outgoing Relation(s)
15-oxo-ETE-CoA(4−) (CHEBI:136578) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
15-oxo-ETE-CoA(4−) (CHEBI:136578) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
15-oxo-ETE-CoA(4−) (CHEBI:136578) is conjugate base of 15-oxo-ETE-CoA (CHEBI:137446)
Incoming Relation(s)
15-oxo-ETE-CoA (CHEBI:137446) is conjugate acid of 15-oxo-ETE-CoA(4−) (CHEBI:136578)
Synonyms  Source
(5Z,8Z,11Z,13E)-15-oxoicosatetraenoyl-CoA(4−)ChEBI
15-keto-ETE-CoA(4−)ChEBI
UniProt Name  Source
15-oxo-(5Z,8Z,11Z,13E)-eicosatetraenoyl-CoAUniProt
Citations