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(9Z,12Z)-octadecadienoyl-CoA

MNXM735507 is deprecated and replaced by MNXM735506
PropertiesImage
MNX_IDMNXM735506 Image of MNXM735506
referencechebi:57383
formulaC39H62N7O17P3S
global charge-4
mol weight1025.946
InChIKeyYECLLIMZHNYFCK-RRNJGNTNSA-J
InChIInChI=1S/C39H66N7O17P3S/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/h8-9,11-12,26-28,32-34,38,49-50H,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/b9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1
SMILESCCCCC/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/C39H66N7O17P3S/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/h8-9,11-12,26-28,32-34,38,49-50H,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)/b9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1 Image of MNXM735506
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][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)140
in models (compartimentalized) 81
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57383
chebi:57383
YECLLIMZHNYFCK-RRNJGNTNSA-J 		(9Z,12Z)-octadecadienoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z)-octadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
linoleoyl-CoA(4-)

SLM:000000493
slm:000000493
YECLLIMZHNYFCK-RRNJGNTNSA-J 		(9Z,12Z)-octadecadienoyl-CoA
hmdb:HMDB0062491
YECLLIMZHNYFCK-RRNJGNTNSA-J 		9Z,12Z-octadecadienoyl-CoA
(2R)-4-({[({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z,12Z)-octadeca-9,12-dienoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate
(2R)-4-({[({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z,12Z)-octadeca-9,12-dienoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
(2R)-4-({[({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z,12Z)-octadeca-9,12-dienoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate
(2R)-4-({[({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z,12Z)-octadeca-9,12-dienoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
(2R)-4-[({[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z,12Z)-octadeca-9,12-dienoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
Linoleoyl-CoA
Linoleoyl-coenzyme A
Linoleoyl-coenzyme A, (Z,Z)-isomer
Linoleoyl-coenzyme A, (e,Z)-isomer
Linoleoyl-coenzyme A, (e,e)-isomer
Linoleoyl-coenzyme A, octadecadienoate-1-(14)C-labeled, (Z,Z)-isomer
coenzyme A, S-9,12-Octadecadienoate, (Z,Z)

bigg.metabolite:lneldccoa
biggM:lneldccoa
YECLLIMZHNYFCK-RRNJGNTNSA-J 		Linoelaidyl coenzyme A

bigg.metabolite:lnlccoa
biggM:lnlccoa
YECLLIMZHNYFCK-RRNJGNTNSA-J 		Linoleic coenzyme A

sabiork.compound:2364
sabiorkM:2364
kegg.compound:C02050
keggC:C02050
YECLLIMZHNYFCK-RRNJGNTNSA-N 		Linoleoyl-CoA
(9Z,12Z)-Octadecadienoyl-CoA
hmdb:HMDB0001064
YECLLIMZHNYFCK-RRNJGNTNSA-J 		Linoleoyl-CoA
(9Z,12Z)-Octadecadienoyl-CoA
(9Z,12Z)-Octadecadienoyl-coenzyme A
(Z,Z)-9,12-Octadecadienoyl-CoA
CoA(18:2(9Z,12Z))
Linoleic coenzyme A
Linoleoyl coenzyme A
Linoleoyl-coenzyme A
Linoleoyl-coenzyme A, (Z,Z)-isomer
Linoleyl-CoA
Linoleyl-coenzyme A
linoleoyl-coa
{[(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-[(9Z,12Z)-octadeca-9,12-dienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

seed.compound:cpd01398
seedM:cpd01398
YECLLIMZHNYFCK-RRNJGNTNSA-J 		Linoleoyl-CoA
(9Z,12Z)-Octadecadienoyl-CoA
(9Z,12Z)-octadeca-9,12-dienoyl-CoA
18:2(n-6)
cis,cis-octadeca-9,12-dienoyl-CoA
linoleoyl-CoA

lipidmaps:LMFA07050343
lipidmapsM:LMFA07050343
YECLLIMZHNYFCK-RRNJGNTNSA-N 		Linoleoyl-CoA
9Z-12Z-octadecadienoyl-CoA
CoA 18:2

seed.compound:cpd30349
seedM:cpd30349
YECLLIMZHNYFCK-RRNJGNTNSA-J 		linoleic coenzyme A

reactome:R-ALL-2046063
reactomeM:R-ALL-2046063
reactome:R-ALL-77359
reactomeM:R-ALL-77359
CHEBI:15530
chebi:15530
YECLLIMZHNYFCK-RRNJGNTNSA-N 		linoleoyl-CoA
(9Z,12Z)-Octadecadienoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z)-octadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Linoleoyl-CoA

metacyc.compound:CPD-18
metacycM:CPD-18
YECLLIMZHNYFCK-RRNJGNTNSA-J 		linoleoyl-CoA
(9Z,12Z)-octadeca-9,12-dienoyl-CoA
18:2(n-6)
cis,cis-octadeca-9,12-dienoyl-CoA

hmdb:HMDB0060170
hmdb:HMDB01064
hmdb:HMDB60170
hmdb:HMDB62491
chebi:14516
chebi:25049
chebi:6480
biggM:M_lneldccoa
biggM:M_lnlccoa
keggC:M_C02050
seedM:M_cpd01398
seedM:M_cpd30349 		secondary/obsolete/fantasy identifier