U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
139594
PubMed

PubMed

TitleDatePubMed
The content of coenzyme A, acetyl-CoA and long-chain acyl-CoA in human blood platelets.
1982 Dec 23
Purification and partial characterization of chicken liver acetyl coenzyme A: arylamine N-acetyltransferase.
1987
Viral infections: a role in the lung disease of cystic fibrosis?
1992 Feb
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
Skeletal muscle pyruvate dehydrogenase activity during acetate infusion in humans.
1995 May
A novel Arabidopsis acetyltransferase interacts with the geminivirus movement protein NSP.
2003 Jul
Platelet function and acetyl-coenzyme A metabolism in type 1 diabetes mellitus.
2003 Sep
Acetylation regulates the differentiation-specific functions of the retinoblastoma protein.
2004 Apr 7
The role of adenosine triphosphate citrate lyase in the metabolism of acetyl coenzyme a and function of blood platelets in diabetes mellitus.
2004 Jan
[Contribution of free fatty acids to impairment of insulin secretion and action. mechanism of beta-cell lipotoxicity].
2005 Dec
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
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
Cyanamide-mediated Inhibition of N-acetyltransferase 1.
2012 Dec 8
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 Sat Dec 16 09:58:13 UTC 2023
Edited
by admin
on Sat Dec 16 09:58:13 UTC 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 UTC 2023 , Edited by admin on Sat Dec 16 09:58:13 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID30992686
Created by admin on Sat Dec 16 09:58:13 UTC 2023 , Edited by admin on Sat Dec 16 09:58:13 UTC 2023
PRIMARY
FDA UNII
76Q83YLO3O
Created by admin on Sat Dec 16 09:58:13 UTC 2023 , Edited by admin on Sat Dec 16 09:58:13 UTC 2023
PRIMARY
NCI_THESAURUS
C199
Created by admin on Sat Dec 16 09:58:13 UTC 2023 , Edited by admin on Sat Dec 16 09:58:13 UTC 2023
PRIMARY
CAS
72-89-9
Created by admin on Sat Dec 16 09:58:13 UTC 2023 , Edited by admin on Sat Dec 16 09:58:13 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-790-9
Created by admin on Sat Dec 16 09:58:13 UTC 2023 , Edited by admin on Sat Dec 16 09:58:13 UTC 2023
PRIMARY
DAILYMED
76Q83YLO3O
Created by admin on Sat Dec 16 09:58:13 UTC 2023 , Edited by admin on Sat Dec 16 09:58:13 UTC 2023
PRIMARY
RXCUI
1490796
Created by admin on Sat Dec 16 09:58:13 UTC 2023 , Edited by admin on Sat Dec 16 09:58:13 UTC 2023
PRIMARY RxNorm
WIKIPEDIA
Acetyl coenzyme A
Created by admin on Sat Dec 16 09:58:13 UTC 2023 , Edited by admin on Sat Dec 16 09:58:13 UTC 2023
PRIMARY
PUBCHEM
444493
Created by admin on Sat Dec 16 09:58:13 UTC 2023 , Edited by admin on Sat Dec 16 09:58:13 UTC 2023
PRIMARY
CHEBI
15351
Created by admin on Sat Dec 16 09:58:13 UTC 2023 , Edited by admin on Sat Dec 16 09:58:13 UTC 2023
PRIMARY
Related Record Type Details
Structure of ACETYL COENZYME A
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966