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acetyl-CoA(4-)

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](n2cnc3c(N)ncnc32)[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][NH:25][C:14]([CH2:4][CH2:5][NH:26][C:21]([C@@H:18]([C:23]([CH3:2])([CH3:3])[CH2:9][O:44][P:50](=[O:41])([OH:42])[O:47][P:49](=[O:39])([OH: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])=[O:35])=[O:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1566
in models (compartimentalized) 811
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(4-)
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
acetyl-CoA tetraanion
acetyl-coenzyme A(4-)
hmdb:HMDB0247926
ZSLZBFCDCINBPY-ZSJPKINUSA-N 		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
ZSLZBFCDCINBPY-ZSJPKINUSA-J 		Acetyl-CoA

vmhM:accoa
vmhM:accoa
vmhmetabolite:accoa
vmhmetabolite:accoa
ZSLZBFCDCINBPY-ZSJPKINUSA-J 		Acetyl-CoA
(epema syndrome)
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
Adipose
Aerobic glycolysis
Body fat
Cell nucleus
Cellular membrane
CoA, Acetyl
Cucurbits
Cytoplasma
Digestion
Ee
Er
Extracellular region
Fat tissue
Fauna
Flora
Golgi apparatus
Golgi complex
Golgi ribbon
Gourds
Gramineae
Legume
Lipid metabolic process
Membrane integrity agent
Membrane stability agent
Nucleic
Papilionoideae
Peroxisomal
Peroxisome vesicle
Prostate gland
S-Acetate CoA
S-Acetate coenzyme A
S-Acetyl coenzyme A
S-Acetyl-CoA
S-Acetyl-coenzyme A
Signal transduction
Soy
Soya
Soya bean
Soybean
Striated muscle
Surface-active agent
Thrombocyte
coenzyme A, Acetyl
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

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