Structure

Coenzyme A

CAS
85-61-0
Catalog Number
ACM85610
Category
Other Products
Molecular Weight
767.53
Molecular Formula
C21H36N7O16P3S

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Specification

Synonyms
COENZYME A HYDRATE;COENZYME A;COA;COA-SH;Coenzyme a, free acid;Coenzyme A, free acid, lyophilized, min. 75% (enzym.);COENZYME A FREE ACID FROM YEAST;Coenzyme A, free acid, lyophilized, 75%
Melting Point
-5°C
Density
1.1335 g/cm³ (20°C)
Solubility
water, 2.192e+004 mg/L @ 25 °C (est)
Appearance
Clear golden liquid With a stench
Active Content
90%
Assay
0.98
EC Number
201-619-0
Packaging
10 g
Physical State
Solid
Refractive Index
1.53 (20°C)
Safety Description
24/25
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Storage Conditions
-20°C
July 19, 2023


High quality
Coenzyme A has high purity and less impurities and plays an important role in biological experiments.

What is the molecular formula of Coenzyme A?

The molecular formula of Coenzyme A is C21H36N7O16P3S.

What is the molecular weight of Coenzyme A?

The molecular weight of Coenzyme A is 767.5 g/mol.

What is the IUPAC name of Coenzyme A?

The IUPAC name of Coenzyme A is [[(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.

What is the InChI of Coenzyme A?

The InChI of Coenzyme A is 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.

What is the Canonical SMILES of Coenzyme A?

The Canonical SMILES of Coenzyme A is CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O.

What is the CAS number of Coenzyme A?

The CAS number of Coenzyme A is 85-61-0.

What is the EC number of Coenzyme A?

The EC number of Coenzyme A is 201-619-0.

What is the ChEMBL ID of Coenzyme A?

The ChEMBL ID of Coenzyme A is CHEMBL1213327.

What is the KEGG ID of Coenzyme A?

The KEGG ID of Coenzyme A is C00010.

What is the Wikipedia page of Coenzyme A?

The Wikipedia page of Coenzyme A is "Coenzyme A".

Upstream Synthesis Route 1

  • 56-40-6
  • 6244-91-3
  • 16284-60-9
  • 85-61-0

Reference: [1] Drug Metabolism and Disposition, 2012, vol. 40, # 2, p. 346 - 352

Upstream Synthesis Route 2

  • 56-40-6
  • 6712-03-4
  • 33008-07-0
  • 85-61-0

Reference: [1] Drug Metabolism and Disposition, 2012, vol. 40, # 2, p. 346 - 352

Upstream Synthesis Route 3

  • 70-18-8
  • 6477-52-7
  • 27025-41-8
  • 85-61-0

Reference: [1]Journal of the American Chemical Society,1953,vol. 75,p. 2520
[2]Biochemical and Biophysical Research Communications,2018

Downstream Synthesis Route 1

  • 106-60-5
  • 85-61-0
  • 52065-78-8
  • 1226998-97-5

Reference: [1] Journal of the American Chemical Society, 2010, vol. 132, # 18, p. 6402 - 6411

Downstream Synthesis Route 2

  • 27025-41-8
  • 85-61-0
  • 70-18-8
  • 6477-52-7

Reference: [1]Journal of the American Chemical Society,1953,vol. 75,p. 2520
[2]FEBS Journal,2010,vol. 277,p. 1738 - 1746
[3]Biochemical and Biophysical Research Communications,2018
[4]Journal of Biological Chemistry,2020,vol. 295,p. 2822 - 2838

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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