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Substance Name: Acryloyl-coenzyme A
RN: 5776-58-9
InChIKey: POODSGUMUCVRTR-IEXPHMLFSA-N

Note

  • Used by Clostridium propionicum in the conversion of lactate to propionate.

Molecular Formula

  • C24-H38-N7-O17-P3-S

Molecular Weight

  • 821.5842
 
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Names and Synonyms

Name of Substance

  • Acryloyl-coenzyme A

Synonyms

  • Acryloyl-coa
  • Acrylyl-coa
  • Coenzyme A, acryloyl-

Systematic Name

  • Coenzyme A, S-2-propenoate

Registry Numbers

CAS Registry Number

  • 5776-58-9

System Generated Number

  • 0005776589

Structure Descriptors

InChI

InChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1

InChIKey

POODSGUMUCVRTR-IEXPHMLFSA-N

Smiles

CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=C