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CHEBI:74297 - (9Z,11E)-octadecadienoyl-CoA(4−)

ChEBI IDCHEBI:74297
ChEBI Name(9Z,11E)-octadecadienoyl-CoA(4−)
Stars
ASCII Name(9Z,11E)-octadecadienoyl-CoA(4-)
DefinitionAn octadecadienoyl-CoA(4−) in which the double bonds are located at positions 9 and 11 of the acyl group and have Z and E geometry, respectively.
Last Modified1 February 2018
Submitterabridge
DownloadsMolfile
FormulaC39H62N7O17P3S
Net Charge-4
Average Mass1025.946
Monoisotopic Mass1025.31577
SMILESCCCCCC/C=C/C=C\CCCCCCCC(=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/h9-12,26-28,32-34,38,49-50H,4-8,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b10-9+,12-11-/t28-,32-,33-,34+,38-/m1/s1
InChIKeyAHZCZESKRQDJSS-CQBJTUNBSA-J
ChEBI Ontology
Outgoing Relation(s)
(9Z,11E)-octadecadienoyl-CoA(4−) (CHEBI:74297) is a (11E)-Δ11-fatty acyl-CoA(4−) (CHEBI:84949)
(9Z,11E)-octadecadienoyl-CoA(4−) (CHEBI:74297) is a octadecadienoyl-CoA(4−) (CHEBI:139565)
(9Z,11E)-octadecadienoyl-CoA(4−) (CHEBI:74297) is conjugate base of (9Z,11E)-octadecadienoyl-CoA (CHEBI:74396)
Incoming Relation(s)
(9Z,11E)-octadecadienoyl-CoA (CHEBI:74396) is conjugate acid of (9Z,11E)-octadecadienoyl-CoA(4−) (CHEBI:74297)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,11E)-octadeca-9,11-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonym  Source
(9Z,11E)-octadecadienoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(9Z,11E)-octadecadienoyl-CoAUniProt
Citations