Compound Identification
SMILES
CC1=CC2=C(C=C1C)\[N+](=C\C(=O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=C(N2)C(=O)NC(=O)N1
InChIKey
InChIKey=XIQIKRCOODHJDG-OCCSQVGLSA-O
Formula
C17H20N4O9P
Mass
455.339
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pteridines and derivatives
-
Subclass
Alloxazines and isoalloxazines
- Level 5 Flavins
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Subclass
Alloxazines and isoalloxazines
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Class
Pteridines and derivatives
-
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
Monosaccharide phosphates Pentoses Monoalkyl phosphates Pyrimidones Acyloins Primary aromatic amines Benzenoids Beta-hydroxy ketones Alpha-hydroxy ketones Heteroaromatic compounds Vinylogous amides Shiff bases Secondary alcohols Ureas Lactams 1,2-diols Azacyclic compounds Secondary amines Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavin - Pentose monosaccharide - Monosaccharide phosphate - Pyrimidone - Monoalkyl phosphate - Pyrimidine - Acyloin - Primary aromatic amine - Benzenoid - Monosaccharide - Beta-hydroxy ketone - Alkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alpha-hydroxy ketone - Vinylogous amide - Heteroaromatic compound - 1,2-diol - Ketone - Lactam - Urea - Shiff base - Secondary alcohol - Azacycle - Secondary amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic cation - 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