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Substance Name: Isovaleryl-coenzyme A
RN: 6244-91-3
InChIKey: UYVZIWWBJMYRCD-ZMHDXICWSA-N

Molecular Weight

  • 851.654
 
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Names and Synonyms

Name of Substance

  • Isovaleryl-coenzyme A

Synonyms

  • Coenzyme A, isovaleryl-
  • Isovaleryl-coa

Systematic Name

  • S-(3-Methylbutanoate) coenzyme A

Registry Numbers

CAS Registry Number

  • 6244-91-3

System Generated Number

  • 0006244913

Structure Descriptors

InChI

1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1

InChIKey

UYVZIWWBJMYRCD-ZMHDXICWSA-N

Smiles

OP(O[C@@H]1[C@H](O[C@H](n2cnc3c(N)ncnc23)[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OCC(C)(C)[C@H](C(NCCC(NCCSC(=O)CC(C)C)=O)=O)O)(O)=O