Structure Information
Structure

Compound Identification

SMILES

COP([O-])(=O)[C@@](C)(O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP([O-])(=O)OP(O)([O-])=O)S1

InChIKey

InChIKey=ILGXNMPRCMTAOK-OAHLLOKOSA-L

Formula

C15H23N4O11P3S

Mass

560.35

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