DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:10 UTC
Update Date	2025-03-25 00:57:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224814
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₂O₄
Molecular Mass	280.1423
SMILES	NCCCC(C(=O)O)c1ccc(CC(N)C(=O)O)cc1
InChI Key	LAIIULSBJLDHPO-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 amphetamines and derivatives aromatic monoterpenoids carbonyl compounds carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines monocyclic monoterpenoids organic oxides organonitrogen compounds organopnictogen compounds phenylbutylamines phenylpropanoic acids
Substituents	monoterpenoid monocyclic benzene moiety carbonyl group monocyclic monoterpenoid carboxylic acid 3-phenylpropanoic-acid p-cymene organic oxide phenylbutylamine organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives amphetamine or derivatives aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound aromatic monoterpenoid

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