Compound Identification
SMILES
CC1=CC2=C(C=C1C)N(CCNCCP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2
InChIKey
InChIKey=INJUCPZQMMYTGL-UHFFFAOYSA-N
Formula
C16H20N5O5P
Mass
393.34
Taxonomic Classification
Taxonomy Tree
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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
Quinoxalines Pyrimidones Pyrazines Benzenoids Vinylogous amides Organic phosphonic acids Heteroaromatic compounds Lactams Dialkylamines Azacyclic compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavin - Quinoxaline - Pyrimidone - Pyrazine - Pyrimidine - Benzenoid - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Vinylogous amide - Lactam - Secondary aliphatic amine - Secondary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - 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