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Substance Name: Crotonyl-coenzyme A
RN: 992-67-6
UNII: Q959BSX9OA
InChIKey: KFWWCMJSYSSPSK-XBTRWLRFSA-N

Molecular Formula

  • C25-H40-N7-O17-P3-S

Molecular Weight

  • 835.611
 
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Names and Synonyms

Name of Substance

  • Crotonyl-coenzyme A

Synonyms

  • Coenzyme A, crotonyl-
  • Crotonyl-CoA
  • EINECS 213-595-9
  • UNII-Q959BSX9OA

Systematic Name

  • S-But-2-enoylcoenzyme A

Registry Numbers

CAS Registry Number

  • 992-67-6

FDA UNII

  • Q959BSX9OA

System Generated Number

  • 0000992676

Structure Descriptors

InChI

InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20?,24-/m1/s1

InChIKey

KFWWCMJSYSSPSK-XBTRWLRFSA-N

Smiles

C\C=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n2cnc3c(N)ncnc23