DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:42:17 UTC
Update Date	2025-03-21 17:59:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00020393
Frequency	198.7
Structure
Chemical Formula	C₁₅H₂₂N₂O₄
Molecular Mass	294.158
SMILES	NCCCCC(NC(Cc1ccccc1)C(=O)O)C(=O)O
InChI Key	VVHXECCMHUYGBZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids amphetamines and derivatives benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines organic oxides organopnictogen compounds phenylpropanoic acids
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid amphetamine or derivatives secondary aliphatic amine secondary amine amino fatty acid aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

Showing information for DMID00020393