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acetyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1104266 #reac in my sandbox 0 in MNXref (generic) 1757 in models (compartimentalized) 799 formula C23H34N7O17P3S charge -4 mass 805.536 reference chebi:57288 InChIKey ZSLZBFCDCINBPY-ZSJPKINUSA-J InChI InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/p-4/t13-,16-,17-,18+,22-/m1/s1 SMILES [CH3:1][C:12](=[O:31])[S:51][CH2:7][CH2:6][N:25]=[C:14]([CH2:4][CH2:5][N:26]=[C:21]([C@@H:18]([C:23]([CH3:2])([CH3:3])[CH2:9][O:44][P:50]([OH:41])(=[O:42])[O:47][P:49]([OH:39])(=[O:40])[O:43][CH2:8][C@@H:13]1[C@@H:17]([O:46][P:48]([OH:36])([OH:37])=[O:38])[C@@H:16]([OH:33])[C@H:22]([n:30]2[cH:11][n:29][c:15]3[c:19]([NH2:24])[n:27][cH:10][n:28][c:20]32)[O:45]1)[OH:34])[OH:35])[OH:32]

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:57288 chebi:57288	acetyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate) AcCoA(4-) acetyl-CoA tetraanion acetyl-CoA(4-) acetyl-coenzyme A(4-)
hmdb:HMDB0247926	Acetyl CoA ({2-[({[({3-[(2-{[2-(acetylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl}oxy)phosphonic acid Acetyl coenzyme A Acetyl-CoA CoA, Acetyl N-(2-{[2-(acetylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-4-({[({[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-dimethylbutanimidate N-(2-{[2-(acetylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-4-({[({[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-dimethylbutanimidate N-(2-{[2-(acetylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-4-({[({[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-dimethylbutanimidic acid coenzyme A, Acetyl
bigg.metabolite:accoa biggM:accoa envipath:...64c8ea6c2d11 envipathM:...64c8ea6c2d11	Acetyl-CoA
hmdb:HMDB0001206	Acetyl-CoA Ac-CoA Ac-S-CoA Ac-S-coenzyme A Ac-coenzyme A AcCoA Acetyl CoA Acetyl coenzyme A Acetyl-S-CoA Acetyl-S-coenzyme A Acetyl-coenzyme A Acetylcoenzyme A CoA, Acetyl S-Acetate CoA S-Acetate coenzyme A S-Acetyl coenzyme A S-Acetyl-CoA S-Acetyl-coenzyme A acetyl-CoA coenzyme A, Acetyl {[(2R,3S,4R,5R)-2-({[({[(3R)-3-[(2-{[2-(acetylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
lipidmaps:LMFA07050281 lipidmapsM:LMFA07050281	Acetyl-CoA AcCoA Acetyl-CoA CoA 2:0 S-acetyl-CoA S-acetyl-coenzyme A
sabiork.compound:1276 sabiorkM:1276 kegg.compound:C00024 keggC:C00024	Acetyl-CoA Acetyl coenzyme A
seed.compound:cpd00022 seedM:cpd00022	Acetyl-CoA Acetyl coenzyme A ac-CoA ac-S-CoA accoa acetyl coenzyme-A acetyl-CoA acetyl-S-CoA acetylcoenzyme-A
vmhM:accoa vmhmetabolite:accoa	Acetyl-CoA {[(2R,3S,4R,5R)-2-({[({[(3R)-3-[(2-{[2-(acetylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-ami
SLM:000000297 slm:000000297	acetyl-CoA
reactome:R-ALL-113559 reactomeM:R-ALL-113559 reactome:R-ALL-113560 reactomeM:R-ALL-113560 reactome:R-ALL-353123 reactomeM:R-ALL-353123 reactome:R-ALL-727753 reactomeM:R-ALL-727753 reactome:R-ALL-76183 reactomeM:R-ALL-76183 CHEBI:15351 chebi:15351	acetyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) AcCoA Acetyl coenzyme A Acetyl-CoA S-acetyl-CoA S-acetyl-coenzyme A
metacyc.compound:ACETYL-COA metacycM:ACETYL-COA	acetyl-CoA ac-CoA ac-S-CoA acetyl coenzyme-A acetyl-S-CoA acetylcoenzyme-A
hmdb:HMDB01206 chebi:13712 chebi:22192 chebi:2408 chebi:40470 biggM:M_accoa keggC:M_C00024 seedM:M_cpd00022	secondary/obsolete/fantasy identifier