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Substance Name: Chloroacetyl coenzyme A
RN: 34201-15-5
InChIKey: ILZFPFRGASSOTJ-UHFFFAOYSA-N

Molecular Formula

  • C23-H37-Cl-N7-O17-P3-S

Molecular Weight

  • 844.0183
 
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Names and Synonyms

Name of Substance

  • Chloroacetyl coenzyme A

Synonyms

  • Chloroacetyl coa
  • Coenzyme A, chloroacetyl

Systematic Name

  • Coenzyme A, S-(chloroacetate)

Registry Numbers

CAS Registry Number

  • 34201-15-5

System Generated Number

  • 0034201155

Structure Descriptors

InChI

1S/C23H37ClN7O17P3S/c1-23(2,18(35)21(36)27-4-3-13(32)26-5-6-52-14(33)7-24)9-45-51(42,43)48-50(40,41)44-8-12-17(47-49(37,38)39)16(34)22(46-12)31-11-30-15-19(25)28-10-29-20(15)31/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)

InChIKey

ILZFPFRGASSOTJ-UHFFFAOYSA-N

Smiles

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCl)O