Important Announcement

X

ChemIDplus is moving to PubChem in December 2022.
Please see the NLM Technical Bulletin article for more information.

Skip Navigation
ChemIDplus LiteBrowseAdvanced

Substance Name: Coenzyme A
RN: 85-61-0
UNII: SAA04E81UX
InChIKey: RGJOEKWQDUBAIZ-IBOSZNHHSA-N

Classification Code

  • Antiviral (COVID-19)

Molecular Formula

  • C21-H36-N7-O16-P3-S

Molecular Weight

  • 767.5364
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Coenzyme A

MeSH Heading

  • Coenzyme A

Synonyms

  • Coenzyme A
  • Depot-Zeel
  • EINECS 201-619-0
  • UNII-SAA04E81UX
  • Zeel

Systematic Name

  • Coenzyme A

Registry Numbers

CAS Registry Number

  • 85-61-0

FDA UNII

  • SAA04E81UX

Other Registry Numbers

  • 153-46-8
  • 16541-21-2
  • 4151-41-1

System Generated Number

  • 0000085610

Structure Descriptors

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

InChIKey

RGJOEKWQDUBAIZ-IBOSZNHHSA-N

Smiles

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCS

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -5.340 (none)   EST
Atmospheric OH Rate Constant 3.93E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.