Compound Identification
SMILES
CC(C)(S)[C@@H](N\C=C1\N=COC1=O)C(O)=O
InChIKey
InChIKey=LJJFZCGLRICWLJ-QVQDZQDPSA-N
Formula
C9H12N2O4S
Mass
244.27
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
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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
D-alpha-amino acids Thia fatty acids 4-Hydrocarbylideneazlactones Methyl-branched fatty acids Heterocyclic fatty acids Dicarboxylic acids and derivatives Vinylogous amides Amino acids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Alkylthiols Enamines Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid - D-alpha-amino acid - Branched fatty acid - Heterocyclic fatty acid - 4-hydrocarbylideneazlactone - Thia fatty acid - Methyl-branched fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Vinylogous amide - Oxazoline - Amino acid - Alkylthiol - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Secondary amine - Azacycle - Carboxylic acid - Secondary aliphatic amine - Enamine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Organosulfur compound - Aliphatic heteromonocyclic 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