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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
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Subclass
Alloxazines and isoalloxazines
- Level 5 Flavins
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Subclass
Alloxazines and isoalloxazines
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Class
Pteridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Alloxazines and isoalloxazines
Intermediate Tree Nodes
Not available
Direct Parent
Flavins
Alternative Parents
Organic peroxodisulfates Quinoxalines Aralkylamines Pyrimidones Organic peroxomonosulfates Benzenoids Pyrazines Vinylogous amides Heteroaromatic compounds Quaternary ammonium salts Organic sulfuric acids and derivatives Secondary alcohols Lactams Azacyclic compounds Polyols Organic salts Primary alcohols Organic oxides Monoalkylamines Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds
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