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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

PubMed

PubMed

TitleDatePubMed
3-Hydroxy-3-methylglutaric aciduria, combined with 3-methylglutaconic aciduria.
1976 Aug 2
Acetyl group accumulation and pyruvate dehydrogenase activity in human muscle during incremental exercise.
1991 Dec
Effects of fat on insulin-stimulated carbohydrate metabolism in normal men.
1991 Sep
Caffeine ingestion and muscle metabolism during prolonged exercise in humans.
1992 Jun
Localization of carnitine acetyltransferase activity in brown adipocytes of the rat.
1994 Apr
Human cytoplasmic 3-hydroxy-3-methylglutaryl coenzyme A synthase: expression, purification, and characterization of recombinant wild-type and Cys129 mutant enzymes.
1994 Jul
The CoA-independent transacylase in PAF biosynthesis: tissue distribution and molecular species selectivity.
1995 Feb 9
[Mechanisms of selective vulnerability of cholinergic neurons to neurotoxic stimuli].
1999
[Disturbances of glucose metabolism in epilepsy and other neurodegenerative diseases].
2000
Effects of acetate infusion and hyperoxia on muscle substrate phosphorylation after onset of moderate exercise.
2001 Dec
Treatment of cardiomyopathy and rhabdomyolysis in long-chain fat oxidation disorders using an anaplerotic odd-chain triglyceride.
2002 Jul
Muscle pyruvate availability can limit the flux, but not activation, of the pyruvate dehydrogenase complex during submaximal exercise in humans.
2004 Dec 1
Insulin regulation of fatty acid synthase gene transcription: roles of USF and SREBP-1c.
2004 Oct
Phenotype dependent differential effects of interleukin-1beta and amyloid-beta on viability and cholinergic phenotype of T17 neuroblastoma cells.
2005 Dec
Histone modifications defining active genes persist after transcriptional and mitotic inactivation.
2005 Jan 26
Effect of L-carnitine on acetyl-CoA content and activity of blood platelets in healthy and diabetic persons.
2005 Sep
N-Acetyltransferase and sulfotransferase activity in human prostate: potential for carcinogen activation.
2006 Jun
Crystallographic and kinetic studies of human mitochondrial acetoacetyl-CoA thiolase: the importance of potassium and chloride ions for its structure and function.
2007 Apr 10
A visible wavelength spectrophotometric assay suitable for high-throughput screening of 3-hydroxy-3-methylglutaryl-CoA synthase.
2010 Jan 1
Cyanamide-mediated Inhibition of N-acetyltransferase 1.
2012 Dec 8
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:58:13 GMT 2023
Edited
by admin
on Sat Dec 16 09:58:13 GMT 2023
Record UNII
76Q83YLO3O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETYL COENZYME A
Common Name English
S-ACETYL COENZYME A
Common Name English
COENZYME A, S-ACETATE
Common Name English
ACETYL COA
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C384
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID30992686
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
PRIMARY
FDA UNII
76Q83YLO3O
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
PRIMARY
NCI_THESAURUS
C199
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
PRIMARY
CAS
72-89-9
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
PRIMARY
ECHA (EC/EINECS)
200-790-9
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
PRIMARY
DAILYMED
76Q83YLO3O
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
PRIMARY
RXCUI
1490796
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
PRIMARY RxNorm
WIKIPEDIA
Acetyl coenzyme A
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
PRIMARY
PUBCHEM
444493
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
PRIMARY
CHEBI
15351
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY