Compound Identification
SMILES
[H][C@](O)(C[N+]1=C2NC(=O)N=C([O-])C2=NC2=C1C=C(C)C(C)=C2)[C@]([H])(O)[C@@]1([H])COP([O-])(=O)O1
InChIKey
InChIKey=SMKHGBWIQRWNLE-SCRDCRAPSA-M
Formula
C17H18N4O8P
Mass
437.325
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
-
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
Quinoxalines Pyrimidones Benzenoids Organic phosphoric acids and derivatives Pyrazines Pyrazinium compounds Heteroaromatic compounds Dioxaphospholanes 1,2-diols Secondary alcohols Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavin - Diazanaphthalene - Quinoxaline - Pyrimidone - Organic phosphoric acid derivative - Pyrazine - Pyrimidine - Benzenoid - Pyrazinium - 1,3_dioxaphospholane - Heteroaromatic compound - 1,2-diol - Secondary alcohol - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic anion - 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