Structure Information
Structure

Compound Identification

SMILES

CC(C)C(O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCP(O)(=O)OP(O)(O)=O)S1

InChIKey

InChIKey=GXFYTSRVOMWIGY-UHFFFAOYSA-O

Formula

C16H27N4O7P2S

Mass

481.42

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Thiamines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Thiamine - 2,4,5-trisubstituted 1,3-thiazole - Aminopyrimidine - Organic phosphoric acid derivative - Imidolactam - Azole - Organophosphonic acid - Organophosphonic acid derivative - Thiazole - Heteroaromatic compound - Secondary alcohol - Azacycle - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Alcohol - Organic nitrogen compound - Organic oxygen compound - Aromatic alcohol - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as thiamines. These are compounds containing a thiamine moiety, which is structurally characterized by a 3-[(4-Amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl backbone.

External Descriptors

Not available

Previous Back Next