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acetyl-CoA

PropertiesImage
MNX_IDMNXM1104266 Image of MNXM1104266
referencechebi:57288
formulaC23H34N7O17P3S
global charge-4
mol weight805.546
InChIKeyZSLZBFCDCINBPY-ZSJPKINUSA-J
InChIInChI=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
SMILESCC(=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/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)/t13-,16-,17-,18+,22-/m1/s1 Image of MNXM1104266
SMILES (mnx)[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]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1647
in models (compartimentalized) 801
Similar chemical compounds in external resources
IdentifierDescription

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-6783328
reactomeM:R-ALL-6783328
reactome:R-ALL-727753
reactomeM:R-ALL-727753
reactome:R-ALL-76183
reactomeM:R-ALL-76183
CHEBI:57288
chebi:57288
ZSLZBFCDCINBPY-ZSJPKINUSA-J 		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-)

bigg.metabolite:accoa
biggM:accoa
envipath:...64c8ea6c2d11
envipathM:...64c8ea6c2d11
ZSLZBFCDCINBPY-ZSJPKINUSA-J 		Acetyl-CoA
hmdb:HMDB0001206
ZSLZBFCDCINBPY-ZSJPKINUSA-N 		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
ZSLZBFCDCINBPY-ZSJPKINUSA-N 		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
ZSLZBFCDCINBPY-ZSJPKINUSA-N 		Acetyl-CoA
Acetyl coenzyme A

seed.compound:cpd00022
seedM:cpd00022
ZSLZBFCDCINBPY-ZSJPKINUSA-J 		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
ZSLZBFCDCINBPY-ZSJPKINUSA-J 		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
ZSLZBFCDCINBPY-ZSJPKINUSA-J 		acetyl-CoA

CHEBI:15351
chebi:15351
ZSLZBFCDCINBPY-ZSJPKINUSA-N 		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
ZSLZBFCDCINBPY-ZSJPKINUSA-J 		acetyl-CoA
ac-CoA
ac-S-CoA
acetyl coenzyme-A
acetyl-S-CoA
acetylcoenzyme-A

hmdb:HMDB01206
chebi:13712
chebi:180918
chebi:22192
chebi:2408
chebi:40470
biggM:M_accoa
keggC:M_C00024
seedM:M_cpd00022
vmhM:M_accoa 		secondary/obsolete/fantasy identifier