Structure Information
Structure

Compound Identification

SMILES

[O-]S(=O)(=O)OOS([O-])(=O)=O.CC1=CC2=C(C=C1C[NH3+])N(C[C@@H](O)[C@@H](O)[C@@H](O)CO)C1=NC(=O)NC(=O)C1=N2.CC1=CC2=C(C=C1C[NH3+])N(C[C@@H](O)[C@@H](O)[C@@H](O)CO)C1=NC(=O)NC(=O)C1=N2

InChIKey

InChIKey=AIKIQZXYQCPINF-ANPZCEIESA-N

Formula

C34H44N10O20S2

Mass

976.9

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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

Not available

Substituents

Flavin - Organic peroxodisulfate - Diazanaphthalene - Quinoxaline - Organic peroxomonosulfate - Pyrimidone - Aralkylamine - Benzenoid - Pyrazine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Organic sulfuric acid or derivatives - Quaternary ammonium salt - Lactam - Secondary alcohol - Azacycle - Polyol - Organic oxide - Amine - Primary amine - Primary alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Alcohol - Organic oxygen compound - Primary aliphatic amine - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - 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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