Compound Identification
SMILES
N[C@@H](CCCC[NH3+])C(O)=O.CC(C)CC1=CC=C(C=C1)[C@H](C)C([O-])=O
InChIKey
InChIKey=IHHXIUAEPKVVII-PTKYJSHISA-N
Formula
C19H32N2O4
Mass
352.475
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
Aromatic monoterpenoids Monocyclic monoterpenoids L-alpha-amino acids Phenylpropanes Medium-chain fatty acids Amino fatty acids Quaternary ammonium salts Amino acids Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Monoalkylamines Organic cations
Molecular Framework
Not available
Substituents
2-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - P-cymene - Aromatic monoterpenoid - L-alpha-amino acid - Monocyclic monoterpenoid - Monoterpenoid - Phenylpropane - Medium-chain fatty acid - Amino fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Quaternary ammonium salt - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Primary amine - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organic cation - 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