CompoundList
Sign in
Nucleosides and nucleotides

Acetyl CoA

Also known as Acetyl coenzyme a, acetyl-CoA, S-Acetyl coenzyme A

CAS 72-89-9Formula C23H38N7O17P3SMolar mass 809.58 g/molEC 200-790-9
5 suppliers listed
Get quotes Compare 5 suppliers
Acetyl CoA chemical structure, C23H38N7O17P3S, CAS 72-89-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72-89-9
Formula
C23H38N7O17P3S
Molar mass
809.58 g/mol
EC number
200-790-9
HS code
293499
Category
Nucleosides and nucleotides

What is Acetyl CoA?

Plain description, key identifiers and synonyms

Acetyl-CoA is an acyl-CoA having acetyl as its S-acetyl component. It has a role as a coenzyme, an effector, an acyl donor and a fundamental metabolite. It is functionally related to a coenzyme A and an acetic acid. It is a conjugate acid of an acetyl-CoA(4-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate
CAS number
72-89-9 CAS number cross-checkedOther or deprecated CAS: 496948-93-7
EC number
200-790-9
Molecular formula
C23H38N7O17P3S
UNII
76Q83YLO3O
InChIKey
ZSLZBFCDCINBPY-ZSJPKINUSA-N
InChI
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
Canonical 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
Isomeric SMILES
CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

Synonyms

  • Acetyl coenzyme a
  • acetyl-CoA
  • S-Acetyl coenzyme A
  • Coenzyme A, S-acetate
  • S-acetyl-CoA
  • S-acetyl-coenzyme A
  • CoA, Acetyl
  • 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
  • Coenzyme A, Acetyl
  • 3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-(acetylsulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)
  • AcCoA
  • acetyl coenzyme *a
  • S-Acetylcoenzyme A
  • acetyl-S-CoA
  • ac-CoA
  • ac-S-CoA
  • acetylcoenzyme-A
  • Acetyl coenzyme a trilithium salt trihydrate
  • acetyl coenzyme-A
  • acetylCoA
  • ac-Coenzyme A
  • S-acetate CoA
  • S-acetyl CoA
  • ac-S-Coenzyme A
  • acetyl-S-Coenzyme A
Show all 30 synonyms
  • S-acetate Coenzyme A
  • CoA 2:0
  • MeSH ID: D000105
  • AcCoA, S-acetyl-CoA, S-acetyl-coenzyme A
  • 11C-Acetylcoenzyme-A, (Acyl-CoA), [M+H]+,

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
809.58 g/molcalc.
Exact mass
809.1258 Dacalc.
LogP (octanol/water)
-1.32calc.
Topological polar surface area
363.6 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
19calc.
Heavy atoms
51calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
7calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ncc2ncn(C3CCCO3)c2n1

c1ncc2ncn(C3CCCO3)c2n1

3 rings, 14 atoms.

3,221 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Acetyl CoA suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 5 suppliers
5 of 5 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

5 suppliers in 5 countries

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

Acetyl CoA price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Roles

  • acyl donor
  • coenzyme
  • cofactor
  • donor
  • effector
  • fundamental metabolite
  • metabolite

Pharmacology

Acetyl Coenzyme A is the condensation product of coenzyme A and acetic acid which participates in the biosynthesis of fatty acids and sterols, in the oxidation of fatty acids and in the metabolism of many amino acids. In addition, Acetyl Coenzyme A acts as a biological acetylating agent.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Acetyl CoA is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Acetyl CoA is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Acetyl CoA, based on the data on this page

What is Acetyl CoA?

Acetyl-CoA is an acyl-CoA having acetyl as its S-acetyl component. It has a role as a coenzyme, an effector, an acyl donor and a fundamental metabolite. It is functionally related to a coenzyme A and an acetic acid. It is a conjugate acid of an acetyl-CoA(4-).

What is the CAS number of Acetyl CoA?

The CAS registry number of Acetyl CoA is 72-89-9. Other or deprecated CAS numbers: 496948-93-7.

What is the molecular formula and weight of Acetyl CoA?

The molecular formula of Acetyl CoA is C23H38N7O17P3S and its molar mass is 809.58 g/mol.

What is Acetyl CoA used for?

Known uses and roles of Acetyl CoA include acyl donor, coenzyme, cofactor, donor, effector and 2 more.

Is Acetyl CoA hazardous?

No GHS hazard classification for Acetyl CoA is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Acetyl CoA?

Acetyl CoA is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Acetyl CoA?

CompoundList lists 5 suppliers of Acetyl CoA in China, Germany, United Kingdom, Hong Kong and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Acetyl CoA?

Suppliers quote Acetyl CoA on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Acetyl CoA

Get quotes for Acetyl CoA

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Acetyl CoA
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Acetyl CoA with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/acetyl-coa-72-89-9" title="Acetyl CoA structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Nucleosides and nucleotides or HS code 293499

5 suppliers
Free quotes, contact stays private
Get quotes