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Substance Name: Thiamine triphosphorate
RN: 3475-65-8
UNII: 464M6AQ7IV
InChIKey: IWLROWZYZPNOFC-UHFFFAOYSA-N

Note

  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,8,8-tetrahydroxy-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)thiazolium hydroxide, inner salt, P,P',P''-trioxide. The triphosphate ester of thiamine. In Leigh's disease, this compound is present in decreased amounts in the brain due to a metabolic block in its formation.

Molecular Formula

  • C12-H19-N4-O10-P3-S

Molecular Weight

  • 504.288
 

Classification Codes

  • Growth Substances
  • Micronutrients
  • Vitamin B Complex
  • Vitamins
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Names and Synonyms

Name of Substance

  • Thiamine triphosphate
  • Thiamine triphosphorate

MeSH Heading

  • Thiamine triphosphate

Synonym

  • UNII-464M6AQ7IV

Systematic Name

  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,8,8-tetrahydroxy-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)-, inner salt, P,P',P''-trioxide

Registry Numbers

CAS Registry Number

  • 3475-65-8

FDA UNII

  • 464M6AQ7IV

System Generated Number

  • 0003475658

Structure Descriptors

InChI

1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)

InChIKey

IWLROWZYZPNOFC-UHFFFAOYSA-N

Smiles

[n+]1(Cc2c(nc(C)nc2)N)c(c(CCO[P@@](O[P@@](OP(O)(=O)[O-])(O)=O)(O)=O)sc1)C