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Substance Name: Thiamine pyrophosphate
RN: 136-09-4
InChIKey: AYEKOFBPNLCAJY-UHFFFAOYSA-N

Molecular Formula

  • C12-H18-N4-O7-P2-S

Molecular Weight

  • 424.309
 
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Names and Synonyms

Results Name

  • Thiamine pyrophosphate

Synonyms

  • EINECS 205-230-7
  • Thiamin pyrophosphate
  • Thiamine pyrophosphate

Systematic Names

  • 2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-1,3-thiazoniol-5-yl)ethyl dihydrogen diphosphate
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, hydroxide, inner salt, P,P'-dioxide
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, inner salt

Registry Numbers

CAS Registry Number

  • 136-09-4

Other Registry Numbers

  • 12318-71-7
  • 495-24-9
  • 934365-19-2

System Generated Number

  • 0000136094

Structure Descriptors

InChI

1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)

InChIKey

AYEKOFBPNLCAJY-UHFFFAOYSA-N

Smiles

[n+]1(c(c(CCO[P@@](OP(=O)([O-])O)(=O)O)sc1)C)Cc1c(nc(nc1)C)N