Acetyl CoA
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Acetyl CoA
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CAS No:
72-89-9
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Formula:
C23H38N7O17P3S
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Chemical Name:
Acetyl CoA
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Synonyms:
Coenzyme A,S-acetate;Acetyl CoA;Acetyl coenzyme A;S-Acetyl coenzyme A;125527-23-3
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CAS No:
Description
ChEBI: An acyl-CoA having acetyl as its S-acetyl component.
Solid
Acetyl-CoA is an acyl-CoA having acetyl as its S-acetyl component. It has a role as an effector, a coenzyme, an acyl donor and a fundamental metabolite. It derives from an acetic acid and a coenzyme A. It is a conjugate acid of an acetyl-CoA(4-).|Acetyl CoA participates in the biosynthesis of fatty acids and sterols, in the oxidation of fatty acids and in the metabolism of many amino acids. It also acts as a biological acetylating agent.
Characteristics
425.34000
-3.89
Solid
1.9±0.1 g/cm3
1.718
0°C
244.7 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|249.8 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]|263.07 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field]
Acetyl CoA Use and Manufacturing
Fatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Computed Properties
Molecular Weight:809.6
XLogP3:-5.6
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:20
Exact Mass:809.12577494
Monoisotopic Mass:809.12577494
Topological Polar Surface Area:389
Heavy Atom Count:51
Complexity:1380
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Acetyl-CoA is a key cofactor that carries acetyl groups and serves as the acetyl group donor in enzyme-catalyzed acetyl transfer reactions. It is involved in the citric acid cycle (Krebs cycle), acts as a precursor for fatty acid biosynthesis, and is a source of carbon for all fatty acids. It also plays a role in the synthesis of neurotransmitter acetylcholine and is used by histone acetyltransferases (HATs) for post-translational acetylation of histones and non-histone proteins.
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