DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:28 UTC
Update Date	2025-03-25 01:01:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252744
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇N₃O₅
Molecular Mass	295.1168
SMILES	NC(Cc1ccc(NC(=O)C(N)CC(=O)O)cc1)C(=O)O
InChI Key	FGYDTWFFQYCZKN-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 acid amides alpha amino acids amphetamines and derivatives anilides aspartic acid and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines n-arylamides organic oxides organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide n-arylamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alpha-amino acid amide carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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