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(9Z,12Z,15Z)-octadecatrienoyl-CoA

MNXM994 is deprecated and here replaced by MNXM1104785
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104785 Image of MNXM1104785
referencechebi:74034
formulaC39H60N7O17P3S
global charge-4
mol weight1023.93
InChIKeyOMKFKBGZHNJNEX-PQBHNYBOSA-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/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)/p-4/b6-5-,9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1
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](N2C=NC3=C2N=CN=C3N)[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/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 Image of MNXM1104785
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:30](=[O:48])[S:67][CH2:23][CH2:22][N:41]=[C:29]([CH2:20][CH2:21][N:42]=[C:37]([C@@H:34]([C:39]([CH3:2])([CH3:3])[CH2:25][O:60][P:66]([OH:57])(=[O:58])[O:63][P:65]([OH:55])(=[O:56])[O:59][CH2:24][C@@H:28]1[C@@H:33]([O:62][P:64]([OH:52])([OH:53])=[O:54])[C@@H:32]([OH:49])[C@H:38]([N:46]2[CH:27]=[N:45][C:31]3=[C:35]([NH2:40])[N:43]=[CH:26][N:44]=[C:36]32)[O:61]1)[OH:50])[OH:51])[OH:47]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)58
in models (compartimentalized) 27
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74034
chebi:74034
OMKFKBGZHNJNEX-PQBHNYBOSA-J 		(9Z,12Z,15Z)-octadecatrienoyl-CoA
(9Z,12Z,15Z)-octadecatrienoyl-CoA(4-)
(9Z,12Z,15Z)-octadecatrienoyl-coenzyme A(4-)
(omega-3)-linolenoyl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
9cis,12cis,15cis-octadecatrienoyl-CoA(4-)
alpha-linolenoyl-CoA(4-)
alpha-linolenoyl-coenzyme A(4-)

kegg.compound:C16162
keggC:C16162
OMKFKBGZHNJNEX-PQBHNYBOSA-N 		(9Z,12Z,15Z)-Octadecatrienoyl-CoA
alpha-Linolenoyl-CoA

SLM:000000737
slm:000000737
OMKFKBGZHNJNEX-PQBHNYBOSA-J 		(9Z,12Z,15Z)-octadecatrienoyl-CoA

bigg.metabolite:lnlncacoa
biggM:lnlncacoa
OMKFKBGZHNJNEX-PQBHNYBOSA-J 		Alpha-Linolenoyl-CoA

sabiork.compound:29016
sabiorkM:29016
OMKFKBGZHNJNEX-PQBHNYBOSA-N 		alpha-Linolenoyl-CoA

seed.compound:cpd14883
seedM:cpd14883
OMKFKBGZHNJNEX-PQBHNYBOSA-J 		alpha-Linolenoyl-CoA
(9Z,12Z,15Z)-Octadecatrienoyl-CoA
(9Z,12Z,15Z)-octadecatrienoyl-CoA
18:3delta9,12,15
alpha-linolenoyl-CoA
linolenoyl-CoA

vmhM:lnlncacoa
vmhmetabolite:lnlncacoa
OMKFKBGZHNJNEX-PQBHNYBOSA-J 		alpha-Linolenoyl-CoA
{[(2R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoylsulfanyl]ethyl}carbamoyl)ethyl]car

reactome:R-ALL-2046062
reactomeM:R-ALL-2046062
CHEBI:51985
chebi:51985
OMKFKBGZHNJNEX-PQBHNYBOSA-N 		alpha-linolenoyl-CoA
(9Z,12Z,15Z)-9,12,15-octadecatrienoyl-CoA
(9Z,12Z,15Z)-9,12,15-octadecatrienoyl-coenzyme A
(9Z,12Z,15Z)-Octadecatrienoyl-CoA
(Z,Z,Z)-9,12,15-octadecatrienoyl-CoA
(Z,Z,Z)-9,12,15-octadecatrienoyl-coenzyme A
(Z,Z,Z)-octadeca-9,12,15-trienoyl-CoA
(Z,Z,Z)-octadeca-9,12,15-trienoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z,15Z)-octadeca-6,12,15-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
all-cis-9,12,15-octadecatrienoyl-CoA
all-cis-9,12,15-octadecatrienoyl-coenzyme A
alpha-Linolenoyl-CoA
alpha-linolenoyl-coenzyme A

lipidmaps:LMFA07050286
lipidmapsM:LMFA07050286
OMKFKBGZHNJNEX-PQBHNYBOSA-N 		alpha-linolenoyl-CoA
(9Z,12Z,15Z)-9,12,15-octadecatrienoyl-CoA
(9Z,12Z,15Z)-9,12,15-octadecatrienoyl-coenzyme A
(9Z,12Z,15Z)-Octadecatrienoyl-CoA
(Z,Z,Z)-9,12,15-octadecatrienoyl-CoA
(Z,Z,Z)-9,12,15-octadecatrienoyl-coenzyme A
(Z,Z,Z)-octadeca-9,12,15-trienoyl-CoA
(Z,Z,Z)-octadeca-9,12,15-trienoyl-coenzyme A
9Z,12Z,15Z-octadecatrienoyl-CoA
CoA 18:3
all-cis-9,12,15-octadecatrienoyl-CoA
all-cis-9,12,15-octadecatrienoyl-coenzyme A
alpha-Linolenoyl-CoA
alpha-linolenoyl-coenzyme A

metacyc.compound:LINOLENOYL-COA
metacycM:LINOLENOYL-COA
OMKFKBGZHNJNEX-PQBHNYBOSA-J 		alpha-linolenoyl-CoA
(9Z,12Z,15Z)-octadecatrienoyl-CoA
18:3Delta9,12,15

biggM:M_lnlncacoa
keggC:M_C16162
seedM:M_cpd14883
vmhM:M_lnlncacoa 		secondary/obsolete/fantasy identifier