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Substance Name: Coenzyme A, trilithium salt
RN: 18439-24-2
InChIKey: QSCBPHBAFBVXRK-FFKZSOHASA-K

Molecular Formula

  • C21-H36-N7-O16-P3-S.3Li

Molecular Weight

  • 785.336
 
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Names and Synonyms

Synonym

  • EINECS 242-317-9

Systematic Name

  • Coenzyme A, trilithium salt

Registry Numbers

CAS Registry Number

  • 18439-24-2

System Generated Number

  • 0018439242

Molecular Formulas

Molecular Formula

  • C21-H36-N7-O16-P3-S.3Li

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C21H36N7O16P3S.3Li/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;3*+1/p-3/t11-,14-,15-,16+,20-;;;/m1.../s1

InChIKey

QSCBPHBAFBVXRK-FFKZSOHASA-K

Smiles

n1([C@H]2[C@@H]([C@H](OP(=O)(O)[O-])[C@H](O2)COP(=O)(OP(=O)([O-])OCC([C@H](C(NCCC(=O)NCCS)=O)O)(C)C)[O-])O)c2c(c(N)ncn2)nc1.[Li+].[Li+].[Li+]