Compound Identification
SMILES
[Cl-].[Cl-].CC[NH+](CC)CCOC(=O)C1=CC=C(NCC2=C(O)C(C)=[NH+]C=C2CO)C=C1
InChIKey
InChIKey=XKHPSMULWQNEEO-UHFFFAOYSA-N
Formula
C21H31Cl2N3O4
Mass
460.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
-
Subclass
Pyridoxamines
- Level 5 Pyridoxamine 5'-phosphates
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Subclass
Pyridoxamines
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Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridoxamines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridoxamine 5'-phosphates
Alternative Parents
Aminobenzoic acids and derivatives Benzoic acid esters Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Secondary alkylarylamines Hydroxypyridines Methylpyridines Pyridinium derivatives Heteroaromatic compounds Amino acids and derivatives Trialkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic chloride salts Hydrocarbon derivatives Primary alcohols Aromatic alcohols Organic oxides Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridoxamine 5'-phosphate - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Aniline or substituted anilines - Phenylalkylamine - Benzoyl - Secondary aliphatic/aromatic amine - Aralkylamine - Methylpyridine - Hydroxypyridine - Monocyclic benzene moiety - Pyridinium - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic chloride salt - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Aromatic alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridoxamine 5'-phosphates. These are heterocyclic aromatic compounds containing a pyridoxamine that carries a phosphate group at the 5'-position.
External Descriptors
Not available