ClassyFire

Compound Identification

SMILES

CC(=O)NC(CCC=O)C([O-])=O

InChIKey

InChIKey=BCPSFKBPHHBDAI-UHFFFAOYSA-M

Formula

C7H10NO4

Mass

172.161

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level 5 Amino acids and derivatives
        
        Level 6 Alpha amino acids and derivatives
        
        Level 7 N-acyl-alpha amino acids and derivatives
        
        Level 8 N-acyl-alpha amino acids

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Fatty acids and conjugates Alpha-hydrogen aldehydes Acetamides Secondary carboxylic acid amides Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions

Molecular Framework

Aliphatic acyclic compounds

Substituents

N-acyl-alpha-amino acid - Fatty acid - Alpha-hydrogen aldehyde - Acetamide - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aldehyde - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic anion - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

External Descriptors

META CYC (CPD-469) : a small molecule

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