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Nucleosides and nucleotides

Coenzyme A

Also known as CoASH, CoA-SH, Zeel

CAS 85-61-0Formula C21H36N7O16P3SMolar mass 767.54 g/molEC 201-619-0
GHS signal word: Warning. Pictograms: Harmful or irritant 45 suppliers listed
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Coenzyme A chemical structure, C21H36N7O16P3S, CAS 85-61-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85-61-0
Formula
C21H36N7O16P3S
Molar mass
767.54 g/mol
EC number
201-619-0
HS code
293499
Category
Nucleosides and nucleotides

What is Coenzyme A?

Plain description, key identifiers and synonyms

Coenzyme A is a thiol comprising a panthothenate unit in phosphoric anhydride linkage with a 3',5'-adenosine diphosphate unit, and an aminoethanethiol unit. It has a role as a coenzyme, a mouse metabolite and an Escherichia coli metabolite. It is a secondary carboxamide, a member of 6-aminopurines, a nucleotide derivative and a thiol. It is functionally related to a 3'-phosphate-adenosine-5'-diphosphate. It is a conjugate acid of a coenzyme A(4-).

Coenzyme A is a coenzyme, notable for its role in the synthesis and oxidation of fatty acids, and the oxidation of pyruvate in the citric acid cycle.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
CAS number
85-61-0 CAS number cross-checkedOther or deprecated CAS: 143180-18-1
EC number
201-619-0
Molecular formula
C21H36N7O16P3S
UNII
SAA04E81UX
MDL number
MFCD00065465, MFCD24368566
INCI name
COENZYME A
InChIKey
RGJOEKWQDUBAIZ-IBOSZNHHSA-N
InChI
InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
Canonical SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS
Isomeric SMILES
CC(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)[C@H](C(=O)NCCC(=O)NCCS)O

Synonyms

  • CoASH
  • CoA-SH
  • Zeel
  • HSCoA
  • Coenzyme_a
  • 3'-phosphoadenosine-(5')diphospho(4')pantatheine
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
  • 3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-sulfanylethyl)amino)propyl)amino)butyl) dihydrogen diphosphate)
  • CoA
  • Aluzime
  • Depot-Zeel
  • Coenzyme ASH
  • Coenzyme A hydrate
  • Coenzym A
  • co-enzyme-A
  • HS-CoA
  • Reduced CoA
  • Co-A-SH
  • Coalip
  • Lucina
  • Thiol-CoA
  • D-Coenzyme A
  • Phosphoteric T-C6
  • coenzymes A
  • S-propanoate
Show all 36 synonyms
  • coenzyme-A
  • CoA hydrate
  • Koenzym A
  • S-propanoic acid
  • S-propanoate CoA
  • S-propionate CoA
  • Coenzyme A-SH
  • co-A
  • Conenzyme a
  • S-propanoate Coenzyme A
  • S-propionate Coenzyme A

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
767.54 g/molcalc.
Exact mass
767.1152 Dacalc.
LogP (octanol/water)
-1.67calc.
Topological polar surface area
346.6 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
17calc.
Rotatable bonds
18calc.
Heavy atoms
48calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.67calc.
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

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Coenzyme A suppliers

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All 45 suppliers
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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

45 suppliers in 9 countries

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Coenzyme A price

Indicative price range per kg from live supplier offers

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

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Uses and applications

What the substance is used for, by industry and function

Use classes: Cosmetics.

Cosmetic ingredient, INCI name COENZYME A(skin conditioning)

Roles

  • Escherichia coli metabolite
  • animal metabolite
  • antineoplastic agent
  • bacterial metabolite
  • coenzyme
  • cofactor
  • eukaryotic metabolite
  • mammalian metabolite
  • metabolite
  • mouse metabolite
  • pharmaceutical
  • prokaryotic metabolite

Functional uses

  • Softener and conditioner
  • Solvent

Cosmetic functions

  • Skin conditioning

Pharmacology

Coenzyme A is a coenzyme containing pantothenic acid, adenosine 3-phosphate 5-pyrophosphate, and cysteamine, involved in the transfer of acyl groups, notably in transacetylations.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Coenzyme A 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 Coenzyme A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Coenzyme A, based on the data on this page

What is Coenzyme A?

Coenzyme A is a thiol comprising a panthothenate unit in phosphoric anhydride linkage with a 3',5'-adenosine diphosphate unit, and an aminoethanethiol unit. It has a role as a coenzyme, a mouse metabolite and an Escherichia coli metabolite.

What is the CAS number of Coenzyme A?

The CAS registry number of Coenzyme A is 85-61-0. Other or deprecated CAS numbers: 143180-18-1.

What is the molecular formula and weight of Coenzyme A?

The molecular formula of Coenzyme A is C21H36N7O16P3S and its molar mass is 767.54 g/mol.

What is Coenzyme A used for?

Use classes: Cosmetics.

Is Coenzyme A hazardous?

Coenzyme A carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Coenzyme A?

Coenzyme A 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 Coenzyme A?

CompoundList lists 45 suppliers of Coenzyme A in United States, China, Germany, Spain and 5 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 Coenzyme A?

Suppliers quote Coenzyme A 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 Coenzyme A

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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