Compound Identification
SMILES
CC1=C(OP(O)(O)=O)C(C=O)=C(COP(O)(O)=O)C(N=NC2=CC(=CC(=C2)C(O)=O)C(O)=O)=N1
InChIKey
InChIKey=QWFUSYAFVVFEGG-UHFFFAOYSA-N
Formula
C16H15N3O13P2
Mass
519.252
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
-
Subclass
Pyridine carboxaldehydes
- Level 5 Pyridoxals and derivatives
-
Subclass
Pyridine carboxaldehydes
-
Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridine carboxaldehydes
Intermediate Tree Nodes
Not available
Direct Parent
Pyridoxals and derivatives
Alternative Parents
M-phthalic acid and derivatives Aryl phosphomonoesters Benzoic acids Benzoyl derivatives Monoalkyl phosphates Methylpyridines Aryl-aldehydes Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta_phthalic_acid - Pyridoxal - Aryl phosphate - Aryl phosphomonoester - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Methylpyridine - Monoalkyl phosphate - Aryl-aldehyde - Monocyclic benzene moiety - Organic phosphoric acid derivative - Phosphoric acid ester - Benzenoid - Alkyl phosphate - Heteroaromatic compound - Azo compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridoxals and derivatives. These are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, a hydroxyl group, a carbaldehyde group, and a hydroxymethyl group, respectively.
External Descriptors
Not available