Acetyl-CoA

Modify Date: 2026-07-01 13:25:15

Acetyl-CoA Structure
Acetyl-CoA structure
 Common Name Acetyl-CoA
CAS Number 72-89-9 Molecular Weight 809.571
Density 1.9±0.1 g/cm3 Boiling Point N/A
Molecular Formula C23H38N7O17P3S Melting Point N/A
MSDS N/A Flash Point N/A

 Use of Acetyl-CoA


Acetyl-coenzyme A (Acetyl-CoA) is a membrane-impermeant central metabolic intermediate, participates in the TCA cycle and oxidative phosphorylation metabolism. Acetyl-coenzyme A, regulates various cellular mechanisms by providing (sole donor) acetyl groups to target amino acid residues for post-translational acetylation reactions of proteins. Acetyl Coenzyme A is also a key precursor of lipid synthesis[1][2][3][4].

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name acetyl-CoA
Synonym More Synonyms

 Acetyl-CoA Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description Acetyl-coenzyme A (Acetyl-CoA) is a membrane-impermeant central metabolic intermediate, participates in the TCA cycle and oxidative phosphorylation metabolism. Acetyl-coenzyme A, regulates various cellular mechanisms by providing (sole donor) acetyl groups to target amino acid residues for post-translational acetylation reactions of proteins. Acetyl Coenzyme A is also a key precursor of lipid synthesis[1][2][3][4].
Related Catalog
Target

Human Endogenous Metabolite

In Vitro Acetyl coenzyme A 在饥饿的 U2OS 细胞中增加细胞质蛋白乙酰化，同时减少饥饿诱导的自噬通量。(U2OS 细胞稳定表达 GFP-LC3 并显微注射Acetyl coenzyme A; 在无营养条件下，用 100 nM BafA1 孵育 3 h 后固定)[2]。
In Vivo Acetyl coenzyme A 通过抑制适应不良的自噬来抑制压力超负荷诱导的小鼠心肌病[2][3]。被剥夺食物 (但可以随意饮水) 24 小时的小鼠在几个器官 (包括心脏和肌肉) 中表现出总 Acetyl coenzyme A 水平显着降低，对应于蛋白质乙酰化水平的降低。相同的实验条件对大脑中 Acetyl coenzyme A 的浓度没有重大影响，实际上会增加肝脏 Acetyl coenzyme A 和蛋白质乙酰化水平[4]。
References

[1]. Choudhary C, et al. The growing landscape of lysine acetylation links metabolism and cell signalling. Nat Rev Mol Cell Biol. 2014 Aug;15(8):536-50.  

[2]. Mariño G, et al. Regulation of autophagy by cytosolic acetyl-coenzyme A. Mol Cell. 2014 Mar 6;53(5):710-25.  

[3]. Zhu H, et al. Cardiac autophagy is a maladaptive response to hemodynamic stress. J Clin Invest. 2007 Jul;117(7):1782-93.  

[4]. Pietrocola F, et al. Acetyl coenzyme A: a central metabolite and second messenger. Cell Metab. 2015 Jun 2;21(6):805-21.  

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.9±0.1 g/cm3
Molecular Formula C23H38N7O17P3S
Molecular Weight 809.571
Exact Mass 809.125793
PSA 425.34000
LogP -3.89
Index of Refraction 1.718
InChIKey ZSLZBFCDCINBPY-ZSJPKINUSA-N
SMILES CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7

Coenzyme A structure

Coenzyme A

CAS#:85-61-0

~%

Acetyl-CoA Structure

Acetyl-CoA

CAS#:72-89-9

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Literature: Journal of the American Chemical Society, , vol. 75, p. 2520 Journal of Biological Chemistry, , vol. 203, p. 869,872, 877
ch3cho structure

ch3cho

CAS#:75-07-0

~%

Acetyl-CoA Structure

Acetyl-CoA

CAS#:72-89-9

Learn More
Literature: US2013/66035 A1, ; Page/Page column ;
Coenzyme A structure

Coenzyme A

CAS#:85-61-0

~%

Acetyl-CoA Structure

Acetyl-CoA

CAS#:72-89-9

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Literature: Biochemische Zeitschrift, , vol. 329, p. 175 Journal of Biological Chemistry, , vol. 199, p. 65,66
1-acetylimidazole structure

1-acetylimidazole

CAS#:2466-76-4

Coenzyme A structure

Coenzyme A

CAS#:85-61-0

~%

Acetyl-CoA Structure

Acetyl-CoA

CAS#:72-89-9

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Literature: Bioscience, biotechnology, and biochemistry, , vol. 67, # 10 p. 2106 - 2114
SODIUM THIOLACETATE structure

SODIUM THIOLACETATE

CAS#:34832-35-4

Coenzyme A structure

Coenzyme A

CAS#:85-61-0

~%

Acetyl-CoA Structure

Acetyl-CoA

CAS#:72-89-9

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Literature: Journal of the American Chemical Society, , vol. 74, p. 3205
Sodium 2-oxopropanoate structure

Sodium 2-oxopro...

CAS#:113-24-6

Coenzyme A structure

Coenzyme A

CAS#:85-61-0

~%

Acetyl-CoA Structure

Acetyl-CoA

CAS#:72-89-9

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Literature: Biochemistry, , vol. 51, # 13 p. 2795 - 2803
S-Acetoacetylcoenzyme a structure

S-Acetoacetylco...

CAS#:1420-36-6

~%

Acetyl-CoA Structure

Acetyl-CoA

CAS#:72-89-9

Learn More
Literature: Organic Letters, , vol. 9, # 20 p. 3877 - 3880
ch3cho structure

ch3cho

CAS#:75-07-0

Coenzyme A structure

Coenzyme A

CAS#:85-61-0

~%

Acetyl-CoA Structure

Acetyl-CoA

CAS#:72-89-9

Learn More
Literature: Biochemistry, , vol. 50, # 39 p. 8407 - 8416
acetic acid structure

acetic acid

CAS#:64-19-7

succinyl-CoA structure

succinyl-CoA

CAS#:604-98-8

~%

Acetyl-CoA Structure

Acetyl-CoA

CAS#:72-89-9

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Literature: Biochemistry, , vol. 51, # 42 p. 8422 - 8434

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

acetylocholine
Azetylcholin
ac-CoA
Choline acetate
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ,5λ-diphosphaheptadecan-17-yl} ethanethioate (non-preferred name)
Acetyl-CoenzymeA
S-ACETYL COENZYME A
acetyl CoA
Acetyl-CoA,Tri-Na
O-Acetylcholine
S-acetylcoenzyme A
[3H]-Acetylcholine
Acetyl choline ion
[14C]-Acetyl-Coenzyme A
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ,5λ-diphosphaheptadecan-17-yl} ethanethioate (non-preferred name)
Adenosine, 5'-O-[[[[(3R)-4-[[3-[[2-(acetylthio)ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate)
Coenzyme A S-Acetate
Choline acetate (ester)
trilithium,[2-[[[[4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] hydrogen phosphate,trihydrate
Acetyl coenzyme A
ac-S-CoA
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ,5λ-diphosphaheptadecan-17-yl} ethanethioate
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ,5λ- diphosphaheptadecan-17-yl} ethanethioate
[3H]-Acetyl-Coenzyme A
(2-Acetoxyethyl)trimethylammonium
Ach
acetyl-S-CoA
Acetylcholinum
acetylCoA
Acetyl-Coenzyme A
[14C]-Acetylcholine
Coenzyme A, S-acetate
acetylcholine
acetylcholine cation

 Acetyl-CoA | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of acetyl-CoA?
A: Polar surface area (PSA) of acetyl-CoA is 425.34000.
Q: What are the downstream products of acetyl-CoA?
A: Related downstream products(CAS) of acetyl-CoA: 480-64-8;543-24-8;85-61-0;5147-00-2;2140-48-9;140-11-4;26157-58-4;1420-36-6;27548-93-2.
Q: What are the uses of acetyl-CoA?
A: Main uses of acetyl-CoA: Acetyl-coenzyme A (Acetyl-CoA) is a membrane-impermeant central metabolic intermediate, participates in the TCA cycle and oxidative phosphorylation metabolism. Acetyl-coenzyme A, regulates various cellular mechanisms by providing (sole donor) acetyl groups to target amino acid residues for post-translational acetylation reactions of proteins. Acetyl Coenzyme A is also a key precursor of lipid synthesis[1][2][3][4].
Q: What is the molecular formula of acetyl-CoA?
A: Molecular formula of acetyl-CoA is C23H38N7O17P3S.
Q: What is the English name of acetyl-CoA?
A: The English name of acetyl-CoA is acetyl-CoA.
Q: What is the InChIKey of acetyl-CoA?
A: InChIKey of acetyl-CoA is ZSLZBFCDCINBPY-ZSJPKINUSA-N.
Q: What is the CAS number of acetyl-CoA?
A: CAS number of acetyl-CoA is 72-89-9.
Q: What is the molecular weight of acetyl-CoA?
A: Molecular weight of acetyl-CoA is 809.571.
Q: What are the upstream materials of acetyl-CoA?
A: Related upstream materials(CAS) of acetyl-CoA: 108-24-7;85-61-0;75-07-0;2466-76-4;34832-35-4;113-24-6;1420-36-6;64-19-7;604-98-8.
Q: What is the LogP of acetyl-CoA?
A: LogP of acetyl-CoA is -3.89.
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