Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=ZUGGCKYXIIDOPI-UHFFFAOYSA-N

Formula

C16H24N4O10P2S

Mass

526.39

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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 - Monoalkyl phosphate - Organic phosphoric acid derivative - Imidolactam - Phosphoric acid ester - Alkyl phosphate - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Primary amine - 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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