Structure Information
Structure

Compound Identification

SMILES

[Cl-].CC(O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1

InChIKey

InChIKey=NOXQCKAOUMGQCX-UHFFFAOYSA-N

Formula

C14H23ClN4O8P2S

Mass

504.82

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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 - Azole - Heteroaromatic compound - Thiazole - Secondary alcohol - Azacycle - Aromatic alcohol - Amine - Primary amine - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic chloride salt - Organic salt - Organic zwitterion - 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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