Compound Identification
SMILES
OC(NCC(O)=O)C(CS)(CC1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=JBNCOMLHHJNUGD-UHFFFAOYSA-N
Formula
C13H17NO5S
Mass
299.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Alpha amino acids and derivatives Beta hydroxy acids and derivatives Dicarboxylic acids and derivatives Benzene and substituted derivatives Hemiaminals Amino acids Dialkylamines Carboxylic acids Alkylthiols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Beta-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Benzenoid - Amino acid or derivatives - Hemiaminal - Amino acid - Secondary amine - Alkanolamine - Carboxylic acid derivative - Alkylthiol - Carboxylic acid - Secondary aliphatic amine - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Amine - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available