CHEBI:75121 - (11Z)-octadecenoyl-CoA(4−)

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ChEBI Name (11Z)-octadecenoyl-CoA(4−)
ChEBI ID CHEBI:75121
ChEBI ASCII Name (11Z)-octadecenoyl-CoA(4-)
Definition An octadecenoyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (11Z)-octadecenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C39H64N7O17P3S
Net Charge -4
Average Mass 1027.94800
Monoisotopic Mass 1027.33142
InChI InChI=1S/C39H68N7O17P3S/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/h9-10,26-28,32-34,38,49-50H,4-8,11-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b10-9-/t28-,32-,33-,34+,38-/m1/s1
InChIKey HEJOXXLSCAQQGQ-SAIINBSPSA-J
SMILES CCCCCC\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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing (11Z)-octadecenoyl-CoA(4−) (CHEBI:75121) is a (11Z)-Δ11-fatty acyl-CoA(4−) (CHEBI:84947)
(11Z)-octadecenoyl-CoA(4−) (CHEBI:75121) is a octadecenoyl-CoA(4−) (CHEBI:139567)
(11Z)-octadecenoyl-CoA(4−) (CHEBI:75121) is conjugate base of (11Z)-octadecenoyl-CoA (CHEBI:75354)
Incoming (11Z)-octadecenoyl-CoA (CHEBI:75354) is conjugate acid of (11Z)-octadecenoyl-CoA(4−) (CHEBI:75121)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z)-octadec-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms Sources
(11Z)-octadecenoyl-CoA UniProt
(11Z)-octadecenoyl-coenzyme A(4−) ChEBI
11cis-octadecenoyl-CoA(4−) SUBMITTER
11cis-octadecenoyl-coenzyme A(4−) ChEBI
C18:1(ω-7)-CoA(4−) SUBMITTER
Last Modified
01 February 2018