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Substance Name: Ethyl-coenzyme A
RN: 70019-68-0
InChIKey: YGTAAWZKDDQUQN-ZSJPKINUSA-N

Note

  • Used to study role of acetyl CoA.

Molecular Weight

  • 795.59
 
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Names and Synonyms

Name of Substance

  • Ethyl-coenzyme A

Synonyms

  • S-Ethyl-coa
  • S-Ethyl-coenzyme A

Systematic Name

  • Coenzyme A, S-ethyl-

Registry Numbers

CAS Registry Number

  • 70019-68-0

System Generated Number

  • 0070019680

Structure Descriptors

InChI

1S/C23H40N7O16P3S/c1-4-50-8-7-25-14(31)5-6-26-21(34)18(33)23(2,3)10-43-49(40,41)46-48(38,39)42-9-13-17(45-47(35,36)37)16(32)22(44-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,32-33H,4-10H2,1-3H3,(H,25,31)(H,26,34)(H,38,39)(H,40,41)(H2,24,27,28)(H2,35,36,37)/t13-,16-,17-,18+,22-/m1/s1

InChIKey

YGTAAWZKDDQUQN-ZSJPKINUSA-N

Smiles

OP(=O)(O[C@@H]1[C@H](O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12)CO[P@@](=O)(O)O[P@@](OCC(C)(C)[C@H](C(NCCC(NCCSCC)=O)=O)O)(=O)O)O