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CHEBI:57363 - γ-linolenoyl-CoA(4−)

ChEBI IDCHEBI:57363
ChEBI Nameγ-linolenoyl-CoA(4−)
Stars
ASCII Namegamma-linolenoyl-CoA(4-)
DefinitionAn octadecatrienoyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of γ-linolenoyl-CoA.
Last Modified1 February 2018
DownloadsMolfile
FormulaC39H60N7O17P3S
Net Charge-4
Average Mass1023.930
Monoisotopic Mass1023.30012
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=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/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/h8-9,11-12,14-15,26-28,32-34,38,49-50H,4-7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1
InChIKeyXZQYPTBYQYZGRU-FHDVEODPSA-J
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
γ-linolenoyl-CoA(4−) (CHEBI:57363) has role human metabolite (CHEBI:77746)
γ-linolenoyl-CoA(4−) (CHEBI:57363) is a octadecatrienoyl-CoA(4−) (CHEBI:139563)
γ-linolenoyl-CoA(4−) (CHEBI:57363) is a γ-linolenoyl bioconjugate (CHEBI:76187)
γ-linolenoyl-CoA(4−) (CHEBI:57363) is conjugate base of γ-linolenoyl-CoA (CHEBI:15508)
Incoming Relation(s)
γ-linolenoyl-CoA (CHEBI:15508) is conjugate acid of γ-linolenoyl-CoA(4−) (CHEBI:57363)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(6Z,12Z,15Z)-octadeca-6,12,15-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms  Source
gamolenoyl-CoA(4−)ChEBI
γ-linolenoyl-coenzyme A(4−)ChEBI
(6Z,9Z,12Z)-6,9,12-octadecatrienoyl-CoA(4−)ChEBI
6-cis,9-cis,12-cis-octadecatrienoyl-CoA(4−)ChEBI
GLA-CoA(4−)ChEBI
6-cis,9-cis,12-cis-octadecatrienoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(6Z,9Z,12Z)-octadecatrienoyl-CoAUniProt