Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC(=[N+]1CC1=CN=C(C)N=C1N)[C@@](C)(O)C(O)=O

InChIKey

InChIKey=TVDSMGSBVYONNB-OAHLLOKOSA-O

Formula

C15H23N4O10P2S

Mass

513.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Thiamines

Direct Parent

Thiamine phosphates

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Thiamine-phosphate - Organic pyrophosphate - 2,4,5-trisubstituted 1,3-thiazole - Aminopyrimidine - Monoalkyl phosphate - Alpha-hydroxy acid - Organic phosphoric acid derivative - Hydroxy acid - Phosphoric acid ester - Imidolactam - Alkyl phosphate - Heteroaromatic compound - Tertiary alcohol - Azole - Thiazole - Amino acid - Amino acid or derivatives - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as thiamine phosphates. These are thiamine derivatives in which the hydroxyl group of the ethanol moiety is substituted by a phosphate group.

External Descriptors

Not available

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