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Substance Name: 3-Carboxy-2,2,5,5-tetramethylpyrrolidine-1-oxy-coenzyme A-thioester
RN: 43212-84-6
InChIKey: XKRAMMGPDSRKFV-GQQCCBEXSA-N

Molecular Formula

  • C30-H50-N8-O18-P3-S

Molecular Weight

  • 951.7936
 
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Names and Synonyms

Name of Substance

  • 3-Carboxy-2,2,5,5-tetramethylpyrrolidine-1-oxy-coenzyme A-thioester

Synonyms

  • 3-Carboxy-2,2,5,5-tetra-methyl-1-pyrrolidinyloxyl-coenzyme A
  • Carboxy-proxyl-coa
  • Coenzyme A, carboxy-proxyl-
  • Tmp-coa-SL

Systematic Names

  • Coenzyme A, 6-amino-alpha-(1-formyl-2-hydroxyethoxy)-, (R-(R*,R*))-
  • Coenzyme A, S-(2,2,5,5-tetramethyl-1-oxy-3-pyrrolidinecarboxylate)

Registry Numbers

CAS Registry Number

  • 43212-84-6

System Generated Number

  • 0043212846

Structure Descriptors

InChI

1S/C31H54N8O18P3S/c1-28(2,24(42)25(43)35-8-7-21(40)34-9-10-61-27(44)18-11-29(3,4)39(45)30(18,5)6)15-54-60(51,52)57-59(49,50)53-13-19-23(56-58(46,47)48)22(41)26(55-19)38-17-33-14-31(38)12-20(32)36-16-37-31/h12,16-19,22-24,26,39,41-42H,7-11,13-15H2,1-6H3,(H,34,40)(H,35,43)(H,49,50)(H,51,52)(H2,32,36,37)(H2,46,47,48)/t18?,19-,22-,23-,24+,26-/m1/s1

InChIKey

XKRAMMGPDSRKFV-GQQCCBEXSA-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)N2C=NC[C]23=CC(=NC=N3)N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C4CC(C)(C)[NH+]([O-])C4(C)C