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(6Z,9Z,12Z)-octadecatrienoyl-CoA

MNXM162293 is deprecated and here replaced by MNXM1104071
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104071

	#reac
in my sandbox	0
in MNXref (generic)	64
in models (compartimentalized)	54

formula

C₃₉H₆₀N₇O₁₇P₃S

charge

-4

mass

1023.30012

reference

chebi:57363

InChIKey

XZQYPTBYQYZGRU-FHDVEODPSA-J

InChI

InChI=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

SMILES

CCCCC/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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57363 chebi:57363	(6Z,9Z,12Z)-octadecatrienoyl-CoA (6Z,9Z,12Z)-6,9,12-octadecatrienoyl-CoA(4-) 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} 6-cis,9-cis,12-cis-octadecatrienoyl-CoA(4-) 6-cis,9-cis,12-cis-octadecatrienoyl-coenzyme A(4-) GLA-CoA(4-) gamma-linolenoyl-CoA(4-) gamma-linolenoyl-coenzyme A(4-) gamolenoyl-CoA(4-)
SLM:000000489 slm:000000489	(6Z,9Z,12Z)-octadecatrienoyl-CoA
bigg.metabolite:lnlncgcoa biggM:lnlncgcoa	Gamma-linolenoyl-CoA
hmdb:HMDB0006368	Gamma-linolenoyl-CoA (6Z,9Z,12Z)-6,9,12-Octadecatrienoyl-CoA (Z,Z,Z)-6,9,12-Octadecatrienoyl-CoA (Z,Z,Z)-6,9,12-Octadecatrienoyl-coenzyme A 6-cis,9-cis,12-cis-Octadecatrienoyl-CoA 6-cis,9-cis,12-cis-Octadecatrienoyl-coenzyme A GLA-CoA Gamolenoyl-CoA g-Linolenoyl-CoA g-Linolenoyl-coenzyme A gamma-Linolenoyl-coenzyme A gamma-linolenoyl-CoA gamma-linolenoyl-coa gamma-linolenoyl-coenzyme A {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
kegg.compound:C03035 keggC:C03035	gamma-Linolenoyl-CoA
seed.compound:cpd01942 seedM:cpd01942	gamma-Linolenoyl-CoA (6Z,9Z,12Z)-octadeca-6,9,12-trienoyl-CoA (6Z,9Z,12Z)-octadecatrienoyl-CoA [5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-(2-octadeca-6,9,12- trienoylsulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid gamma-linolenoyl-CoA
reactome:R-ALL-2046042 reactomeM:R-ALL-2046042 CHEBI:15508 chebi:15508	gamma-linolenoyl-CoA (6Z,9Z,12Z)-6,9,12-octadecatrienoyl-CoA (Z,Z,Z)-6,9,12-octadecatrienoyl-CoA (Z,Z,Z)-6,9,12-octadecatrienoyl-coenzyme A 3'-phosphoadenosine 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] dihydrogen diphosphate} 6-cis,9-cis,12-cis-octadecatrienoyl-CoA 6-cis,9-cis,12-cis-octadecatrienoyl-coenzyme A GLA-CoA gamma-Linolenoyl-CoA gamma-linolenoyl-coenzyme A gamolenoyl-CoA
lipidmaps:LMFA07050322 lipidmapsM:LMFA07050322	gamma-linolenoyl-CoA (6Z,9Z,12Z)-6,9,12-octadecatrienoyl-CoA (Z,Z,Z)-6,9,12-octadecatrienoyl-CoA (Z,Z,Z)-6,9,12-octadecatrienoyl-coenzyme A 6-cis,9-cis,12-cis-octadecatrienoyl-CoA 6-cis,9-cis,12-cis-octadecatrienoyl-coenzyme A 6Z,9Z,12Z-octadecatrienoyl-CoA CoA 18:3 GLA-CoA gamma-linolenoyl-coenzyme A gamolenoyl-CoA
metacyc.compound:GAMMA-LINOLENOYL-COA metacycM:GAMMA-LINOLENOYL-COA	gamma-linolenoyl-CoA (6Z,9Z,12Z)-octadeca-6,9,12-trienoyl-CoA (6Z,9Z,12Z)-octadecatrienoyl-CoA
hmdb:HMDB06368 chebi:10574 chebi:12405 chebi:24198 biggM:M_lnlncgcoa keggC:M_C03035 seedM:M_cpd01942	secondary/obsolete/fantasy identifier