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

Molecular Formula

  • C21-H36-N7-O16-P3-S

Molecular Weight

  • 767.5364
 
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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

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.