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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H38N7O17P3S
Molecular Weight 809.571
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETYL COENZYME A

SMILES

CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C2N=CN=C3N

InChI

InChIKey=ZSLZBFCDCINBPY-ZSJPKINUSA-N
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)/t13-,16-,17-,18+,22-/m1/s1

HIDE SMILES / InChI
Molecular Formula C23H38N7O17P3S
Molecular Weight 809.571
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Cyanamide-mediated Inhibition of N-acetyltransferase 1.
2012-12-08
Mechanisms of the different DNA adduct forming potentials of the urban air pollutants 2-nitrobenzanthrone and carcinogenic 3-nitrobenzanthrone.
2010-07-19
A visible wavelength spectrophotometric assay suitable for high-throughput screening of 3-hydroxy-3-methylglutaryl-CoA synthase.
2010-01-01
Crystallographic and kinetic studies of human mitochondrial acetoacetyl-CoA thiolase: the importance of potassium and chloride ions for its structure and function.
2007-04-10
N-Acetyltransferase and sulfotransferase activity in human prostate: potential for carcinogen activation.
2006-06
[Contribution of free fatty acids to impairment of insulin secretion and action. mechanism of beta-cell lipotoxicity].
2005-12
Phenotype dependent differential effects of interleukin-1beta and amyloid-beta on viability and cholinergic phenotype of T17 neuroblastoma cells.
2005-12
Effect of L-carnitine on acetyl-CoA content and activity of blood platelets in healthy and diabetic persons.
2005-09
Histone modifications defining active genes persist after transcriptional and mitotic inactivation.
2005-01-26
Muscle pyruvate availability can limit the flux, but not activation, of the pyruvate dehydrogenase complex during submaximal exercise in humans.
2004-12-01
Insulin regulation of fatty acid synthase gene transcription: roles of USF and SREBP-1c.
2004-10
Acetylation regulates the differentiation-specific functions of the retinoblastoma protein.
2004-04-07
The role of adenosine triphosphate citrate lyase in the metabolism of acetyl coenzyme a and function of blood platelets in diabetes mellitus.
2004-01
Regulation of PDH activity and isoform expression: diet and exercise.
2003-12
Platelet function and acetyl-coenzyme A metabolism in type 1 diabetes mellitus.
2003-09
A novel Arabidopsis acetyltransferase interacts with the geminivirus movement protein NSP.
2003-07
Treatment of cardiomyopathy and rhabdomyolysis in long-chain fat oxidation disorders using an anaplerotic odd-chain triglyceride.
2002-07
Effects of acetate infusion and hyperoxia on muscle substrate phosphorylation after onset of moderate exercise.
2001-12
[Disturbances of glucose metabolism in epilepsy and other neurodegenerative diseases].
2000
[Mechanisms of selective vulnerability of cholinergic neurons to neurotoxic stimuli].
1999
Skeletal muscle pyruvate dehydrogenase activity during acetate infusion in humans.
1995-05
The CoA-independent transacylase in PAF biosynthesis: tissue distribution and molecular species selectivity.
1995-02-09
Human cytoplasmic 3-hydroxy-3-methylglutaryl coenzyme A synthase: expression, purification, and characterization of recombinant wild-type and Cys129 mutant enzymes.
1994-07
Localization of carnitine acetyltransferase activity in brown adipocytes of the rat.
1994-04
Elucidation of the complete Azorhizobium nicotinate catabolism pathway.
1992-12
Caffeine ingestion and muscle metabolism during prolonged exercise in humans.
1992-06
Viral infections: a role in the lung disease of cystic fibrosis?
1992-02
Acetyl group accumulation and pyruvate dehydrogenase activity in human muscle during incremental exercise.
1991-12
Effects of fat on insulin-stimulated carbohydrate metabolism in normal men.
1991-09
Purification and partial characterization of chicken liver acetyl coenzyme A: arylamine N-acetyltransferase.
1987
The content of coenzyme A, acetyl-CoA and long-chain acyl-CoA in human blood platelets.
1982-12-23
Cortical substance P-like immunoreactivity in cases of Alzheimer's disease and senile dementia of the Alzheimer type.
1982-06
3-Hydroxy-3-methylglutaric aciduria, combined with 3-methylglutaconic aciduria.
1976-08-02
Patents

Patents

JP2000504926A
1
JP2002335786A
1
JP2003180371A
1
JP2003510331A
14
JP2005119987A
1
JP2005528156A
1
JP2006149214A
1
JP2006158297A
1
JP2006204254A
1
JP2006204255A
1
JP2006528217A
38
JP2008061506A
1
JP2008193913A
1
JP2008212044A
1
JP2009060791A
1
JP2009138174A
1
JP2010081894A
1
JP2010126504A
1
JP2010161982A
1
JP2010259388A
1
JP2010539089A
1
JP2011037760A
3
JP2011512848A
2
JP2012500641A
1
JP3329825B2
1
JPH00257179A
1
JPH00646862A
1
JPH00662849A
1
JPH00751069A
1
JPH01181788A
1
JPH0257179A
1
JPH04108721A
1
JPH05268997A
1
JPH06100455A
1
JPH06253898A
14
JPH06287138A
5
JPH0646862A
1
JPH0662849A
1
JPH07143887A
1
JPH07203966A
1
JPH07233070A
1
JPH0751069A
1
JPH08168397A
1
JPH09194366A
1
JPH09248180A
1
JPH0952841A
1
JPH099982A
1
JPH11171856A
1
JPS05414579A
1
JPS05414583A
1
JPS06394989A
1
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:56:12 GMT 2025
Edited
by admin
on Mon Mar 31 22:56:12 GMT 2025
Record UNII
76Q83YLO3O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETYL COENZYME A
Common Name English
ACETYL COA
Preferred Name English
S-ACETYL COENZYME A
Common Name English
COENZYME A, S-ACETATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C384
Created by admin on Mon Mar 31 22:56:12 GMT 2025 , Edited by admin on Mon Mar 31 22:56:12 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID30992686
Created by admin on Mon Mar 31 22:56:12 GMT 2025 , Edited by admin on Mon Mar 31 22:56:12 GMT 2025
PRIMARY
FDA UNII
76Q83YLO3O
Created by admin on Mon Mar 31 22:56:12 GMT 2025 , Edited by admin on Mon Mar 31 22:56:12 GMT 2025
PRIMARY
NCI_THESAURUS
C199
Created by admin on Mon Mar 31 22:56:12 GMT 2025 , Edited by admin on Mon Mar 31 22:56:12 GMT 2025
PRIMARY
CAS
72-89-9
Created by admin on Mon Mar 31 22:56:12 GMT 2025 , Edited by admin on Mon Mar 31 22:56:12 GMT 2025
PRIMARY
ECHA (EC/EINECS)
200-790-9
Created by admin on Mon Mar 31 22:56:12 GMT 2025 , Edited by admin on Mon Mar 31 22:56:12 GMT 2025
PRIMARY
DAILYMED
76Q83YLO3O
Created by admin on Mon Mar 31 22:56:12 GMT 2025 , Edited by admin on Mon Mar 31 22:56:12 GMT 2025
PRIMARY
RXCUI
1490796
Created by admin on Mon Mar 31 22:56:12 GMT 2025 , Edited by admin on Mon Mar 31 22:56:12 GMT 2025
PRIMARY RxNorm
WIKIPEDIA
Acetyl coenzyme A
Created by admin on Mon Mar 31 22:56:12 GMT 2025 , Edited by admin on Mon Mar 31 22:56:12 GMT 2025
PRIMARY
PUBCHEM
444493
Created by admin on Mon Mar 31 22:56:12 GMT 2025 , Edited by admin on Mon Mar 31 22:56:12 GMT 2025
PRIMARY
CHEBI
15351
Created by admin on Mon Mar 31 22:56:12 GMT 2025 , Edited by admin on Mon Mar 31 22:56:12 GMT 2025
PRIMARY
Related Record Type Details
Structure of ACETYL COENZYME A
ACTIVE MOIETY
NIH
NCATS
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