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Substance Name: Coenzyme A, sodium salt
RN: 55672-92-9
InChIKey: FPPFJMWMEFOUTR-QSXXLHCTSA-N

Molecular Formula

  • C21-H36-N7-O16-P3-S.x-Na

Molecular Weight

  • 790.526
 
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Names and Synonyms

Synonyms

  • CoenzymeANLG sodium salt
  • EINECS 259-747-8

Systematic Name

  • Coenzyme A, sodium salt

Registry Numbers

CAS Registry Number

  • 55672-92-9

System Generated Number

  • 0055672929

Molecular Formulas

Molecular Formula

  • C21-H36-N7-O16-P3-S.x-Na

Molecular Formula Fragments

  • C21-H36-N7-O16-P3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H36N7O16P3S.Na/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);/q;+1/t11-,14-,15-,16+,20?;/m1./s1

InChIKey

FPPFJMWMEFOUTR-QSXXLHCTSA-N

Smiles

O1[C@H](CO[P@@](O[P@@](OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O)(=O)O)(O)=O)[C@@H](OP(=O)(O)O)[C@H]([C@H]1[n@]1cnc2c(ncnc12)N)O.[Na+]