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Substance Name: Etomoxiryl-coenzyme A
RN: 124122-91-4
InChIKey: PHKBJONFUQOLOD-GRQKGNIFSA-N

Note

  • Inhibits mitochondrial carnitine palmitoyltransferase and other carnitine acyltransferases.

Molecular Formula

  • C36-H53-Cl-N7-O19-P3-S

Molecular Weight

  • 1048.2857
 
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Names and Synonyms

Name of Substance

  • Etomoxiryl-coenzyme A

Synonyms

  • Coenzyme A, etomoxiryl-
  • Etomoxir-coa
  • Etomoxiryl-coa

Systematic Name

  • Coenzyme A, S-(2-(6-(4-chlorophenoxy)hexyl)oxiranecarboxylate)

Registry Numbers

CAS Registry Number

  • 124122-91-4

System Generated Number

  • 0124122914

Structure Descriptors

InChI

1S/C36H53ClN7O19P3S/c1-35(2,29(47)32(48)40-13-11-25(45)39-14-16-67-34(49)36(19-58-36)12-5-3-4-6-15-57-23-9-7-22(37)8-10-23)18-60-66(55,56)63-65(53,54)59-17-24-28(62-64(50,51)52)27(46)33(61-24)44-21-43-26-30(38)41-20-42-31(26)44/h7-10,20-21,24,27-29,33,46-47H,3-6,11-19H2,1-2H3,(H,39,45)(H,40,48)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t24-,27-,28-,29+,33-,36?/m1/s1

InChIKey

PHKBJONFUQOLOD-GRQKGNIFSA-N

Smiles

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4(CO4)CCCCCCOc5ccc(cc5)Cl)O