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CHEBI:85651 - (5Z,11E)-octadecadienoyl-CoA(4−)

ChEBI IDCHEBI:85651
ChEBI Name(5Z,11E)-octadecadienoyl-CoA(4−)
Stars
ASCII Name(5Z,11E)-octadecadienoyl-CoA(4-)
DefinitionAn octadecadienoyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (5Z,11E)-octadecadienoyl-CoA; major species at pH 7.3.
Last Modified1 February 2018
Submitterlaimo
DownloadsMolfile
FormulaC39H62N7O17P3S
Net Charge-4
Average Mass1025.946
Monoisotopic Mass1025.31577
SMILESCCCCCC/C=C/CCCC/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/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/h9-10,15-16,26-28,32-34,38,49-50H,4-8,11-14,17-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b10-9+,16-15-/t28-,32-,33-,34+,38-/m1/s1
InChIKeyVTJGGNDOWCBWNL-KYUZCJPVSA-J
ChEBI Ontology
Outgoing Relation(s)
(5Z,11E)-octadecadienoyl-CoA(4−) (CHEBI:85651) is a octadecadienoyl-CoA(4−) (CHEBI:139565)
(5Z,11E)-octadecadienoyl-CoA(4−) (CHEBI:85651) is conjugate base of (5Z,11E)-octadecadienoyl-CoA (CHEBI:85956)
Incoming Relation(s)
(5Z,11E)-octadecadienoyl-CoA (CHEBI:85956) is conjugate acid of (5Z,11E)-octadecadienoyl-CoA(4−) (CHEBI:85651)
Synonyms  Source
(5Z,11E)-octadecadienoyl-coenzyme A(4−)SUBMITTER
cis5,trans11-octadecadienoyl-coenzyme A(4−)ChEBI
5-cis,11-trans-octadecadienoyl-coenzyme A(4−)ChEBI
5-cis,11-trans-octadecadienoyl-CoA(4−)ChEBI
cis5,trans11-octadecadienoyl-CoA(4−)ChEBI
UniProt Name  Source
(5Z,11E)-octadecadienoyl-CoAUniProt