Compound Identification
SMILES
CC(C)(S)[C@H](NC=O)C(O)=O
InChIKey
InChIKey=ANCLDHSEMKEXLS-SCSAIBSYSA-N
Formula
C6H11NO3S
Mass
177.22
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 Valine and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic 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 - Alpha amino acids and derivatives
Direct Parent
Valine and derivatives
Alternative Parents
N-acyl-L-alpha-amino acids N-formyl-alpha amino acids Thia fatty acids Methyl-branched fatty acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Alkylthiols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Valine or derivatives - N-acyl-l-alpha-amino acid - N-formyl-alpha-amino acid - N-formyl-alpha amino acid or derivatives - Branched fatty acid - Methyl-branched fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - Carboxamide group - Secondary carboxylic acid amide - Alkylthiol - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available