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Substance Name: S-(2-Oxopentadecyl)-coenzyme A
RN: 121124-66-1
InChIKey: JKWHUJMJVNMKEF-UHFFFAOYSA-N

Note

  • Potent inhibitor of myristoyl-CoA:Protein N-myristoyltransferase.

Molecular Formula

  • C36-H64-N7-O17-P3-S

Molecular Weight

  • 991.922
 
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Names and Synonyms

Name of Substance

  • S-(2-Oxopentadecyl)-coenzyme A

Synonyms

  • Coenzyme A, S-(2-oxopentadecyl)-
  • S-(2-Oxopentadecyl)-coa

Systematic Name

  • Coenzyme A, S-(2-oxopentadecyl)-

Registry Numbers

CAS Registry Number

  • 121124-66-1

System Generated Number

  • 0121124661

Structure Descriptors

InChI

1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(44)21-64-19-18-38-27(45)16-17-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-20-26-30(59-61(49,50)51)29(46)35(58-26)43-24-42-28-32(37)40-23-41-33(28)43/h23-24,26,29-31,35,46-47H,4-22H2,1-3H3,(H,38,45)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)

InChIKey

JKWHUJMJVNMKEF-UHFFFAOYSA-N

Smiles

n1([C@@H]2[C@@H]([C@@H](OP(=O)(O)O)[C@@H](O2)CO[P@@](O[P@@](OCC([C@@H](C(=O)NCCC(=O)NCCSCC(=O)CCCCCCCCCCCCC)O)(C)C)(=O)O)(=O)O)O)c2c(c(N)ncn2)nc1