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(2-trans,6-cis)-dodeca-2,6-dienoyl-CoA

PropertiesImage
MNX_IDMNXM1583463 Image of MNXM1583463
referencechebi:28387
formulaC33H54N7O17P3S
global charge0
mol weight945.816
InChIKeyBNPQDIKRZDRREL-GQUYLXGASA-N
InChIInChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,12-13,20-22,26-28,32,43-44H,4-7,10-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b9-8-,13-12+/t22-,26-,27-,28+,32-/m1/s1
SMILESCCCCC/C=C\CC/C=C/C(=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/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,12-13,20-22,26-28,32,43-44H,4-7,10-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b9-8-,13-12+/t22-,26-,27-,28+,32-/m1/s1 Image of MNXM1583463
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10][CH2:11]/[CH:12]=[CH:13]/[C:24](=[O:42])[S:61][CH2:17][CH2:16][NH:35][C:23]([CH2:14][CH2:15][NH:36][C:31]([C@@H:28]([C:33]([CH3:2])([CH3:3])[CH2:19][O:54][P:60](=[O:51])([OH:52])[O:57][P:59](=[O:49])([OH:50])[O:53][CH2:18][C@@H:22]1[C@@H:27]([O:56][P:58]([OH:46])([OH:47])=[O:48])[C@@H:26]([OH:43])[C@H:32]([n:40]2[cH:21][n:39][c:25]3[c:29]([NH2:34])[n:37][cH:20][n:38][c:30]32)[O:55]1)[OH:44])=[O:45])=[O:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-77360
CHEBI:28387
chebi:28387
BNPQDIKRZDRREL-GQUYLXGASA-N 		(2-trans,6-cis)-dodeca-2,6-dienoyl-CoA
(2-trans,6-cis)-dodeca-2,6-dienoyl-coenzyme A
(2t,6c)-dodecadienoyl-coenzyme A
(2t,6c)-lauro-2,6-dienoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,6Z)-dodeca-2,6-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
trans,cis-2,6-laurodienoyl-coenzyme A
trans,cis-Lauro-2,6-dienoyl-CoA
trans,cis-lauro-2,6-dienoyl-coenzyme A
hmdb:HMDB0062630
BNPQDIKRZDRREL-GQUYLXGASA-N 		(2-trans,6-cis)-dodeca-2,6-dienoyl-CoA
(2-trans,6-cis)-Dodeca-2,6-dienoyl-coenzyme A
(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-[2-({2-[(2E,6Z)-dodeca-2,6-dienoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid
(2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-N-[2-({2-[(2E,6Z)-dodeca-2,6-dienoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid
(2t,6C)-Dodecadienoyl-coenzyme A
(2t,6C)-Lauro-2,6-dienoyl-coenzyme A
trans,cis-2,6-Laurodienoyl-coenzyme A
trans,cis-Lauro-2,6-dienoyl-CoA
trans,cis-Lauro-2,6-dienoyl-coenzyme A

lipidmaps:LMFA07050111
lipidmapsM:LMFA07050111
BNPQDIKRZDRREL-GQUYLXGASA-N 		(2-trans,6-cis)-dodeca-2,6-dienoyl-CoA
(2-trans,6-cis)-dodeca-2,6-dienoyl-coenzyme A
(2t,6c)-dodecadienoyl-coenzyme A
(2t,6c)-lauro-2,6-dienoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,6Z)-dodeca-2,6-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
CoA 12:2
trans,cis-2,6-laurodienoyl-coenzyme A
trans,cis-lauro-2,6-dienoyl-coenzyme A

CHEBI:233835
chebi:233835
BNPQDIKRZDRREL-GQUYLXGASA-J 		(2E,6Z)-dodecadienoyl-CoA(4-)
(2E,6Z)-dodecadienoyl-CoA
CoA 12:2(2E,6Z)(4-)

bigg.metabolite:2ddecdicoa
biggM:2ddecdicoa
metatlas:MAM02698
BNPQDIKRZDRREL-GQUYLXGASA-J 		2,6-Dodecadienoyl Coenzyme A

vmhM:ddca6ZcoaE
vmhM:ddca6ZcoaE
vmhmetabolite:ddca6ZcoaE
vmhmetabolite:ddca6ZcoaE
BNPQDIKRZDRREL-GQUYLXGASA-J 		2,6-dodecadienoylcoa
Cellular membrane
Cytoplasma
Digestion
Extracellular region
Fauna
Lipid metabolic process
Membrane integrity agent
Membrane stability agent
Signal transduction
Surface-active agent

bigg.metabolite:C05279
biggM:C05279
BNPQDIKRZDRREL-GQUYLXGASA-N 		Trans,Cis-Lauro-2,6-Dienoyl Coenzyme A

seed.compound:cpd03131
seedM:cpd03131
BNPQDIKRZDRREL-GQUYLXGASA-J 		trans,cis-Lauro-2,6-dienoyl-CoA

kegg.compound:C05279
keggC:C05279
BNPQDIKRZDRREL-GQUYLXGASA-N 		trans,cis-Lauro-2,6-dienoyl-CoA
(2E,6Z)-Dodecadienoyl-CoA
metatlas:MAM03021
BNPQDIKRZDRREL-GQUYLXGASA-N 		trans,cis-lauro-2,6-dienoyl-CoA

hmdb:HMDB62630
chebi:10697
chebi:27030
vmhM:2ddecdicoa
vmhM:2ddecdicoa
vmhM:C05279
vmhM:C05279
vmhM:ddecdi26coa
vmhM:ddecdi26coa
vmhM:lrlcw6coaE
vmhM:lrlcw6coaE
biggM:M_2ddecdicoa
biggM:M_C05279
keggC:M_C05279
seedM:M_cpd03131
vmhM:M_ddca6ZcoaE 		secondary/obsolete/fantasy identifier