Structure Information
Structure

Compound Identification

SMILES

CCOP(=O)(OCCC1=C(C)[N+](CC2=CN=C(C)N=C2[NH3+])=CS1)OP([O-])([O-])=O

InChIKey

InChIKey=IRQWERFGVWGFPF-UHFFFAOYSA-N

Formula

C14H22N4O7P2S

Mass

452.36

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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 - 4,5-disubstituted 1,3-thiazole - Aminopyrimidine - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Azole - Heteroaromatic compound - Thiazole - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - 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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