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

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ChEBI Name (5Z,11E)-octadecadienoyl-CoA(4−)
ChEBI ID CHEBI:85651
ChEBI ASCII Name (5Z,11E)-octadecadienoyl-CoA(4-)
Definition An octadecadienoyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (5Z,11E)-octadecadienoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
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Formula C39H62N7O17P3S
Net Charge -4
Average Mass 1025.93500
Monoisotopic Mass 1025.31577
InChI InChI=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
InChIKey VTJGGNDOWCBWNL-KYUZCJPVSA-J
SMILES CCCCCC\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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing (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 (5Z,11E)-octadecadienoyl-CoA (CHEBI:85956) is conjugate acid of (5Z,11E)-octadecadienoyl-CoA(4−) (CHEBI:85651)
Synonyms Sources
(5Z,11E)-octadecadienoyl-CoA UniProt
(5Z,11E)-octadecadienoyl-coenzyme A(4−) SUBMITTER
5-cis,11-trans-octadecadienoyl-CoA(4−) ChEBI
5-cis,11-trans-octadecadienoyl-coenzyme A(4−) ChEBI
cis5,trans11-octadecadienoyl-CoA(4−) ChEBI
cis5,trans11-octadecadienoyl-coenzyme A(4−) ChEBI
Last Modified
01 February 2018