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Substance Name: S-(3-Oxobutyl)coenzyme A
RN: 81790-81-0
InChIKey: CDRPUNPLIFNCAJ-DJVIHCHSSA-N

Molecular Weight

  • 837.627
 
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Names and Synonyms

Name of Substance

  • S-(3-Oxobutyl)coenzyme A

Synonyms

  • Coenzyme A, S-(3-oxobutyl)
  • S-(3-Oxobutyl)coa

Systematic Name

  • Coenzyme A, S-(3-oxobutyl)-

Registry Numbers

CAS Registry Number

  • 81790-81-0

System Generated Number

  • 0081790810

Structure Descriptors

InChI

1S/C25H42N7O17P3S/c1-14(33)5-8-53-9-7-27-16(34)4-6-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-15-19(48-50(38,39)40)18(35)24(47-15)32-13-31-17-21(26)29-12-30-22(17)32/h12-13,15,18-20,24,35-36H,4-11H2,1-3H3,(H,27,34)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t15-,18-,19-,20+,24-/m1/s1

InChIKey

CDRPUNPLIFNCAJ-DJVIHCHSSA-N

Smiles

C(=O)(CCSCCNC(CCNC([C@@H](C(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(ncnc23)N)[C@@H](O)[C@@H]1OP(O)(=O)O)(C)C)O)=O)=O)C