DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:23 UTC
Update Date	2025-03-21 18:38:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120866
Frequency	21.5
Structure
Chemical Formula	C₁₅H₁₉N₃O₆
Molecular Mass	337.1274
SMILES	NC(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	PXFHIKBYLYLAFZ-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives hydrocarbon derivatives n-acyl amines n-acyl-alpha amino acids n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide alpha-amino acid or derivatives organic oxide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives carbonic acid derivative alpha-amino acid amide n-acyl-alpha-amino acid n-carbamoyl-alpha-amino acid glutamic acid or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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