Compound Identification
SMILES
O.O.O.[Ca++].CC1=NC=C(COP([O-])([O-])=O)C(C=O)=C1O
InChIKey
InChIKey=NBNPMJXEMGRWNF-UHFFFAOYSA-L
Formula
C8H14CaNO9P
Mass
339.25
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
Methylpyridines Hydroxypyridines Aryl-aldehydes Alkyl phosphates Vinylogous acids Heteroaromatic compounds Organic calcium salts Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridoxal - Aryl-aldehyde - Hydroxypyridine - Methylpyridine - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Heteroaromatic compound - Vinylogous acid - Azacycle - Organic calcium salt - Organic salt - Organic zwitterion - Aldehyde - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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