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dodecanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1092909 #reac in my sandbox 0 in MNXref (generic) 99 in models (compartimentalized) 57 formula C33H54N7O17P3S charge -4 mass 945.806 reference chebi:57375 InChIKey YMCXGHLSVALICC-GMHMEAMDSA-J InChI InChI=1S/C33H58N7O17P3S/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/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/t22-,26-,27-,28+,32-/m1/s1 SMILES [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:24](=[O:42])[S:61][CH2:17][CH2:16][N:35]=[C:23]([CH2:14][CH2:15][N:36]=[C:31]([C@@H:28]([C:33]([CH3:2])([CH3:3])[CH2:19][O:54][P:60]([OH:51])(=[O:52])[O:57][P:59]([OH:49])(=[O: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])[OH:45])[OH:41]

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:57375 chebi:57375	dodecanoyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(dodecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate) dodecanoyl-CoA(4-) dodecanoyl-coenzyme A(4-) lauroyl-CoA tetraanion lauroyl-CoA(4-) lauroyl-coenzyme A(4-)
bigg.metabolite:dodeccoa biggM:dodeccoa	Dodecanoyl-CoA
bigg.metabolite:ddcacoa biggM:ddcacoa	Dodecanoyl-CoA (n-C12:0CoA)
vmhM:ddcacoa vmhmetabolite:ddcacoa	Dodecanoyl-CoA (n-C12:0CoA) {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(dodecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)p
hmdb:HMDB0253993	Lauroyl CoA Dodecanoyl-CoA Lauroyl-CoA Lauroyl-coenzyme A [5-(6-aminopurin-9-yl)-2-{[({3-[(2-{[2-(dodecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxyphosphonic acid {[5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(dodecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
envipath:...ada3812ec3c7 envipathM:...ada3812ec3c7	Lauroyl-CoA
hmdb:HMDB0003571	Lauroyl-CoA C12:0-CoA Dodecanoyl-CoA Dodecanoyl-coenzyme A Lauroyl coenzyme A Lauroyl-coenzyme A coenzyme A, S-Dodecanoate coenzyme A, S-Dodecanoic acid lauroyl-coa {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(dodecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
lipidmaps:LMFA07050340 lipidmapsM:LMFA07050340	Lauroyl-CoA CoA 12:0 Dodecanoyl-CoA
seed.compound:cpd01260 seedM:cpd01260	Lauroyl-CoA Dodecanoyl-CoA Dodecanoyl-CoA (n-C12:0CoA) Lauroyl coenzyme A ddcoa dodecanoyl-CoA dodecanoyl-CoA (n-C12:0CoA) lauroyl coenzyme A lauroyl-CoA
sabiork.compound:2322 sabiorkM:2322 kegg.compound:C01832 keggC:C01832	Lauroyl-CoA Dodecanoyl-CoA Lauroyl coenzyme A
SLM:000000649 slm:000000649	dodecanoyl-CoA
reactome:R-ALL-2534041 reactomeM:R-ALL-2534041 reactome:R-ALL-77261 reactomeM:R-ALL-77261 CHEBI:15521 chebi:15521	lauroyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(dodecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) C12:0-CoA Dodecanoyl-CoA Lauroyl coenzyme A Lauroyl-CoA Lauroyl-coenzyme A coenzyme A, S-dodecanoate dodecanoyl-coenzyme A
metacyc.compound:LAUROYLCOA-CPD metacycM:LAUROYLCOA-CPD	lauroyl-CoA dodecanoyl-CoA dodecanoyl-CoA (n-C12:0CoA) lauroyl coenzyme A
hmdb:HMDB03571 chebi:14188 chebi:14501 chebi:25014 chebi:41874 chebi:6392 biggM:M_ddcacoa biggM:M_dodeccoa keggC:M_C01832 seedM:M_cpd01260	secondary/obsolete/fantasy identifier