Products 136-09-4

CAS 136-09-4 is the registry number for Thiamine Impurity 20. Offered by: Chemat Brand. Available pack sizes: on request.

Thiamine Impurity 20
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

Thiamine(1+) diphosphate(1-) is an ammonium betaine that is the conjugate base of thiamine(1+) diphosphate arising from the deprotonation of one of the hydroxy groups of the terminal phosphate group. It has a role as a Saccharomyces cerevisiae metabolite and a human metabolite. It is a thiamine phosphate, a vitamin B1 and an ammonium betaine. It is a conjugate base of a thiamine(1+) diphosphate. It is a conjugate acid of a thiamine(1+) diphosphate(3-).

Source: ChEBI

Identity
Molecular formulaC12H18N4O7P2S
Molecular weight424.31 g/mol
IUPAC name[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate
InChIKeyAYEKOFBPNLCAJY-UHFFFAOYSA-N
SMILESCC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)[O-]

Computed by PubChem (NCBI)

Synonyms: Pyrophosphate, thiamine, Thiamine Pyrophosphate, thiamin pyrophosphate, thiamine(1+) diphosphate(1-), thiamin diphosphate, Thiamine Impurity 20, Co-Zymase II