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(9Z,12Z)-octadecadienoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM735506

	#reac
in my sandbox	0
in MNXref (generic)	141
in models (compartimentalized)	106

formula

C₃₉H₆₂N₇O₁₇P₃S

charge

-4

mass

1025.31577

reference

chebi:57383

InChIKey

YECLLIMZHNYFCK-RRNJGNTNSA-J

InChI

InChI=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

SMILES

CCCCC/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](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:57383 chebi:57383	(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	(9Z,12Z)-octadecadienoyl-CoA
hmdb:HMDB0062491	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	Linoelaidyl coenzyme A
bigg.metabolite:lnlccoa biggM:lnlccoa	Linoleic coenzyme A
sabiork.compound:2364 sabiorkM:2364 kegg.compound:C02050 keggC:C02050	Linoleoyl-CoA (9Z,12Z)-Octadecadienoyl-CoA
hmdb:HMDB0001064	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	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	Linoleoyl-CoA 9Z-12Z-octadecadienoyl-CoA CoA 18:2
seed.compound:cpd30349 seedM:cpd30349	linoleic coenzyme A
reactome:R-ALL-2046063 reactomeM:R-ALL-2046063 reactome:R-ALL-77359 reactomeM:R-ALL-77359 CHEBI:15530 chebi:15530	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	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