ClassyFire

Compound Identification

SMILES

CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS

InChIKey

InChIKey=ZNXZGRMVNNHPCA-VIFPVBQESA-N

Formula

C11H22N2O4S

Mass

278.37

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 Beta amino acids and derivatives

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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

N-acyl amines Monosaccharides Secondary carboxylic acid amides Secondary alcohols Alkylthiols Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aliphatic acyclic compounds

Substituents

Beta amino acid or derivatives - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Alkylthiol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

CHEBI:16753 : pantetheines

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