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CHEBI:190939 - (9z,12z,15z-octadecatrienoyl) coenzyme a

ChEBI IDCHEBI:190939
ChEBI Name(9z,12z,15z-octadecatrienoyl) coenzyme a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H64N7O17P3S
Net Charge0
Average Mass1027.962
Monoisotopic Mass1027.32922
SMILESCC/C=C\C/C=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)C1OP(=O)(O)O
InChIInChI=1S/C39H64N7O17P3S/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/h5-6,8-9,11-12,26-28,32-34,38,49-50H,4,7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-/t28-,32+,33?,34+,38-/m1/s1
InChIKeyOMKFKBGZHNJNEX-QJTDXEISSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(9z,12z,15z-octadecatrienoyl) coenzyme a (CHEBI:190939) is a long-chain fatty acyl-CoA (CHEBI:33184)
IUPAC Name 
S-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienethioate
Manual XrefsDatabases
35015989ChemSpider
C16162KEGG COMPOUND
HMDB0006290HMDB
LINOLENOYL-COAMetaCyc