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Substance Name: Coenzyme A persulfide
RN: 81918-99-2
InChIKey: REVPHPVBPSIEKM-IBOSZNHHSA-N

Note

  • Possible in vivo inhibitor of mammalian short chain acyl-CoA dehydrogenase.

Molecular Formula

  • C21-H36-N7-O16-P3-S2

Molecular Weight

  • 799.602
 
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Names and Synonyms

Name of Substance

  • Coenzyme A persulfide

Synonym

  • Coa persulfide

Systematic Name

  • Coenzyme A, S-mercapto-

Registry Numbers

CAS Registry Number

  • 81918-99-2

System Generated Number

  • 0081918992

Structure Descriptors

InChI

1S/C21H36N7O16P3S2/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-49-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1

InChIKey

REVPHPVBPSIEKM-IBOSZNHHSA-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(NCCSS)=O)=O)O)(=O)O)O