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Substance Name: Valeryl-coenzyme A
RN: 4752-33-4
InChIKey: UYVZIWWBJMYRCD-UHFFFAOYSA-N

Molecular Formula

  • C26-H44-N7-O17-P3-S

Molecular Weight

  • 851.6536
 
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Names and Synonyms

Name of Substance

  • Valeryl-coenzyme A

Synonyms

  • Coenzyme A, valeryl-
  • Valeryl-coa

Systematic Name

  • Coenzyme A, S-pentanoate

Registry Numbers

CAS Registry Number

  • 4752-33-4

System Generated Number

  • 0004752334

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)

InChIKey

UYVZIWWBJMYRCD-UHFFFAOYSA-N

Smiles

c1nc(c2ncn([C@@H]3[C@@H]([C@@H]([C@@H](O3)CO[P@@](O[P@@](O)(=O)OCC([C@@H](C(NCCC(NCCSC(CC(C)C)=O)=O)=O)O)(C)C)(=O)O)OP(O)(O)=O)O)c2n1)N