Compound Identification
SMILES
CSCC[C@H](N)C(=O)O[C@H](CN1C2=C(C=C(C)C(C)=C2)N=C2C(=O)NC(=O)N=C12)[C@@H](O)[C@@H](O)CO
InChIKey
InChIKey=ODEUTMIFHCGPKZ-PTOXDTDZSA-N
Formula
C22H29N5O7S
Mass
507.56
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
Methionine and derivatives Alpha amino acid esters Quinoxalines Fatty acid esters Pyrimidones Benzenoids Pyrazines Heteroaromatic compounds Vinylogous amides Secondary alcohols Lactams Carboxylic acid esters 1,2-diols Monocarboxylic acids and derivatives Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavin - Methionine or derivatives - Alpha-amino acid ester - Alpha-amino acid or derivatives - Quinoxaline - Fatty acid ester - Pyrimidone - Pyrazine - Fatty acyl - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - 1,2-diol - Amino acid or derivatives - Carboxylic acid ester - Lactam - Secondary alcohol - Thioether - Sulfenyl compound - Polyol - Dialkylthioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Alcohol - Organooxygen compound - Organosulfur compound - Primary alcohol - Primary amine - 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