Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=DKVWQSZJFWOHFA-UHFFFAOYSA-O

Formula

C13H21N4O8P2S

Mass

455.34

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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 - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Imidolactam - Heteroaromatic compound - Thiazole - Azole - Azacycle - Amine - Organic oxygen compound - Primary amine - Primary alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic alcohol - 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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