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Substance Name: Isobutyryl-coenzyme A
RN: 15621-60-0
InChIKey: AEWHYWSPVRZHCT-NDZSKPAWSA-N

Molecular Formula

  • C25-H42-N7-O17-P3-S

Molecular Weight

  • 837.6268
 
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Names and Synonyms

Name of Substance

  • Isobutyryl-coenzyme A

Synonyms

  • Coenzyme A, isobutyryl-
  • Isobutyryl-coa

Systematic Name

  • Coenzyme A, S-(2-methylpropanoate)

Registry Numbers

CAS Registry Number

  • 15621-60-0

System Generated Number

  • 0015621600

Structure Descriptors

InChI

1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1

InChIKey

AEWHYWSPVRZHCT-NDZSKPAWSA-N

Smiles

CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O