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CHEBI:136577 - 11-oxo-ETE-CoA(4−)

ChEBI IDCHEBI:136577
ChEBI Name11-oxo-ETE-CoA(4−)
Stars
ASCII Name11-oxo-ETE-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate functions of 11-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
SMILESCCCCC/C=C\C=C\C(=O)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/c1-4-5-6-7-9-12-15-18-29(49)19-16-13-10-8-11-14-17-20-32(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/h8-9,11-13,15-16,18,27-28,30,34-36,40,52-53H,4-7,10,14,17,19-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b11-8-,12-9-,16-13-,18-15+/t30-,34-,35-,36+,40-/m1/s1
InChIKeyAPIODADESVKQOL-UHFFRIHTSA-J
ChEBI Ontology
Outgoing Relation(s)
11-oxo-ETE-CoA(4−) (CHEBI:136577) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
11-oxo-ETE-CoA(4−) (CHEBI:136577) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
11-oxo-ETE-CoA(4−) (CHEBI:136577) is conjugate base of 11-oxo-ETE-CoA (CHEBI:137445)
Incoming Relation(s)
11-oxo-ETE-CoA (CHEBI:137445) is conjugate acid of 11-oxo-ETE-CoA(4−) (CHEBI:136577)
Synonyms  Source
(5Z,8Z,12E,14Z)-11-oxoicosatetraenoyl-CoA(4−)ChEBI
11-keto-ETE-CoA(4−)ChEBI
UniProt Name  Source
11-oxo-(5Z,8Z,12E,14Z)-eicosatetraenoyl-CoAUniProt
Citations