Structure Information
Structure

Compound Identification

SMILES

CSCC[C@H](N)C(=O)O[C@H](CN1C2=C(C=C(C)C(C)=C2)N=C2C(=O)NC(=O)N=C12)[C@@H](O)[C@@H](O)CO

InChIKey

InChIKey=ODEUTMIFHCGPKZ-PTOXDTDZSA-N

Formula

C22H29N5O7S

Mass

507.56

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pteridines and derivatives

Subclass

Alloxazines and isoalloxazines

Intermediate Tree Nodes

Not available

Direct Parent

Flavins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavin - Methionine or derivatives - Alpha-amino acid ester - Alpha-amino acid or derivatives - Quinoxaline - Fatty acid ester - Pyrimidone - Pyrazine - Fatty acyl - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - 1,2-diol - Amino acid or derivatives - Carboxylic acid ester - Lactam - Secondary alcohol - Thioether - Sulfenyl compound - Polyol - Dialkylthioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Alcohol - Organooxygen compound - Organosulfur compound - Primary alcohol - Primary amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavins. These are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring.

External Descriptors

Not available

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