Structure Information
Structure

Compound Identification

SMILES

O[C@H]1[C@@H](O)[C@H](O[C@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC2=C(C=C(C=C2)C#N)C1=O

InChIKey

InChIKey=ITTQCWBIABCPEL-JLNYLFASSA-N

Formula

C15H17N2O14P3

Mass

542.222

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Monosaccharides - Pentoses

Direct Parent

Pentose phosphates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Isoquinolone - Isoquinoline - Monosaccharide phosphate - Pyridinone - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Pyridine - Alkyl phosphate - Benzenoid - Oxolane - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Lactam - Azacycle - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Cyanide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Alcohol - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

External Descriptors

Not available

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