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Substance Name: Thiochrome diphosphate
RN: 13185-55-2
InChIKey: DEEKUGGTHPYDAX-UHFFFAOYSA-N

Note

  • Binds along with thiamine diphosphate to pyruvate dehydrogenase multienzyme complex.

Molecular Formula

  • C12-H16-N4-O7-P2-S

Molecular Weight

  • 422.293
 
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Names and Synonyms

Name of Substance

  • Thiochrome diphosphate

Systematic Name

  • Diphosphoric acid, mono(2-(2,7-dimethyl-5H-pyrimido(4,5-d)thiazolo(3,2-a)pyrimidin-8-yl)ethyl) ester

Registry Numbers

CAS Registry Number

  • 13185-55-2

System Generated Number

  • 0013185552

Structure Descriptors

InChI

1S/C12H16N4O7P2S/c1-7-10(3-4-22-25(20,21)23-24(17,18)19)26-12-15-11-9(6-16(7)12)5-13-8(2)14-11/h5H,3-4,6H2,1-2H3,(H,20,21)(H2,17,18,19)

InChIKey

DEEKUGGTHPYDAX-UHFFFAOYSA-N

Smiles

O=[P@@](OCCC1=C(N2Cc3c(N=C2S1)nc(nc3)C)C)(O)OP(=O)(O)O