Compound Identification
SMILES
CC(N)(CC1=CC=C(C=C1)S(O)(=O)=O)C(O)=O
InChIKey
InChIKey=SMKGUEAXUZYCRE-UHFFFAOYSA-N
Formula
C10H13NO5S
Mass
259.28
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 Amphetamines and derivatives Benzenesulfonic acids and derivatives Phenylpropanes 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aralkylamines Sulfonyls Organosulfonic acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzenesulfonate - Arylsulfonic acid or derivatives - Phenylpropane - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Primary amine - 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