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-HNNXBMFYSA-L

Formula

C15H20N4O10P2S

Mass

510.35

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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 - Imidolactam - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Azole - Heteroaromatic compound - Thiazole - Tertiary alcohol - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Primary amine - 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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