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Structure Information
Structure

Compound Identification

SMILES

CC1=CC2=C(C=C1C#N)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2

InChIKey

InChIKey=JOFWZFFIIIGHJZ-SCRDCRAPSA-N

Formula

C17H18N5O9P

Mass

467.331

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Flavin nucleotides

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Flavin nucleotides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavin nucleotide - Flavin - Isoalloxazine - Pteridine - Quinoxaline - Pyrimidone - Monoalkyl phosphate - Pyrazine - Pyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Benzenoid - Alkyl phosphate - Heteroaromatic compound - Vinylogous amide - 1,2-diol - Lactam - Secondary alcohol - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Polyol - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavin nucleotides. These are nucleotides containing a flavin moiety. Flavin is a compound that contains the tricyclic isoalloxazine ring system, which bears 2 oxo groups at the 2- and 4-positions.

External Descriptors

Not available

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