Search MNXref
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

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

PropertiesImage
MNX_IDMNXM1104071 Image of MNXM1104071
referencechebi:57363
formulaC39H60N7O17P3S
global charge-4
mol weight1023.93
InChIKeyXZQYPTBYQYZGRU-FHDVEODPSA-J
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
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-]
MNX internals
InChI (mnx)InChI=1/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)/b9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1 Image of MNXM1104071
SMILES (mnx)[CH:1]1([CH:38]2[C:39]3=[N:41]([N:43]=[N:40]2)[N:44]([OH:47])=[N:46][N:45]=[N:42]3)[CH2:2][C@H:4]([CH2:32][CH2:25][C:31]([CH2:24][C:30]([CH2:23][CH2:17][C:19]([CH3:18])([CH3:20])[C@H:21]([C:16]([CH2:14][CH2:12][CH2:13][C:10]([CH2:9][CH2:7][CH2:8][O:48][O:50](=[O:49])[O:51][O:52][O:53][O:54]/[O:55]=[O:56]/[O:57]/[O:58]=[O:59]\[O:60]/[O:61]=[O:62]\[O:63][PH:64][PH:65][PH:66][SH:67])=[CH2:11])=[CH2:15])[CH3:22])(=[CH2:26])[CH3:27])(=[CH2:28])[CH3:29])[C@@H:5]([CH2:33][C:36]([CH3:34])([CH3:35])=[CH2:37])[CH:3]1[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)70
in models (compartimentalized) 35
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57363
chebi:57363
XZQYPTBYQYZGRU-FHDVEODPSA-J 		(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
XZQYPTBYQYZGRU-FHDVEODPSA-J 		(6Z,9Z,12Z)-octadecatrienoyl-CoA

bigg.metabolite:lnlncgcoa
biggM:lnlncgcoa
XZQYPTBYQYZGRU-FHDVEODPSA-J 		Gamma-linolenoyl-CoA
hmdb:HMDB0006368
XZQYPTBYQYZGRU-FHDVEODPSA-N 		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
XZQYPTBYQYZGRU-FHDVEODPSA-N 		gamma-Linolenoyl-CoA
(6Z,9Z,12Z)-Octadecatrienoyl-CoA

seed.compound:cpd01942
seedM:cpd01942
XZQYPTBYQYZGRU-FHDVEODPSA-J 		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

vmhM:lnlncgcoa
vmhM:lnlncgcoa
vmhmetabolite:lnlncgcoa
vmhmetabolite:lnlncgcoa
XZQYPTBYQYZGRU-FHDVEODPSA-J 		gamma-linolenoyl-CoA(4-)
{[(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]ca

reactome:R-ALL-2046042
reactomeM:R-ALL-2046042
CHEBI:15508
chebi:15508
XZQYPTBYQYZGRU-FHDVEODPSA-N 		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
XZQYPTBYQYZGRU-FHDVEODPSA-N 		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
XZQYPTBYQYZGRU-FHDVEODPSA-J 		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
vmhM:M_lnlncgcoa 		secondary/obsolete/fantasy identifier