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CHEBI:85650 - (11E,13Z)-octadecadienoyl-CoA(4−)

ChEBI IDCHEBI:85650
ChEBI Name(11E,13Z)-octadecadienoyl-CoA(4−)
Stars
ASCII Name(11E,13Z)-octadecadienoyl-CoA(4-)
DefinitionAn octadecadienoyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (11E,13Z)-octadecadienoyl-CoA; major species at pH 7.3.
Last Modified1 February 2018
Submitterlaimo
DownloadsMolfile
FormulaC39H62N7O17P3S
Net Charge-4
Average Mass1025.946
Monoisotopic Mass1025.31577
SMILESCCCC/C=C\C=C\CCCCCCCCCC(=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/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h7-10,26-28,32-34,38,49-50H,4-6,11-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b8-7-,10-9+/t28-,32-,33-,34+,38-/m1/s1
InChIKeyDPUUFYYTSHLORL-WXGQEAQZSA-J
ChEBI Ontology
Outgoing Relation(s)
(11E,13Z)-octadecadienoyl-CoA(4−) (CHEBI:85650) is a octadecadienoyl-CoA(4−) (CHEBI:139565)
(11E,13Z)-octadecadienoyl-CoA(4−) (CHEBI:85650) is conjugate base of (11E,13Z)-octadecadienoyl-CoA (CHEBI:85955)
Incoming Relation(s)
(11E,13Z)-octadecadienoyl-CoA (CHEBI:85955) is conjugate acid of (11E,13Z)-octadecadienoyl-CoA(4−) (CHEBI:85650)
Synonyms  Source
trans11,cis-13-octadecadienoyl-CoA(4−)SUBMITTER
11-trans,13-cis-octadecadienoyl-CoA(4−)ChEBI
trans11,cis-13-octadecadienoyl-coenzyme A(4−)ChEBI
(11E,13Z)-octadecadienoyl-coenzyme A(4−)ChEBI
11-trans,13-cis-octadecadienoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(11E,13Z)-octadecadienoyl-CoAUniProt