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Substance Name: Dec-2-ynoyl-coenzyme A
RN: 105528-05-0
InChIKey: CEGGBBHEUBHATI-HSJNEKGZSA-N

Molecular Weight

  • 917.756
 
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Names and Synonyms

Name of Substance

  • Dec-2-ynoyl-coenzyme A

Synonyms

  • 2-Decynoyl-coa
  • Coenzyme A, dec-2-ynoyl-

Registry Numbers

CAS Registry Number

  • 105528-05-0

System Generated Number

  • 0105528050

Structure Descriptors

InChI

1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26+,30-/m1/s1

InChIKey

CEGGBBHEUBHATI-HSJNEKGZSA-N

Smiles

CCCCCCCC#CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O