DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:29 UTC
Update Date	2025-03-21 18:31:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00084874
Frequency	33.7
Structure
Chemical Formula	C₁₅H₁₈N₂O₇
Molecular Mass	338.1114
SMILES	O=C(O)CCC(NC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O
InChI Key	FIZIVPDRBUXLJQ-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 benzene and substituted derivatives carbonyl compounds carboxylic acids glutamic acid and derivatives hydrocarbon derivatives n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carbonic acid derivative carboxylic acid 3-phenylpropanoic-acid n-carbamoyl-alpha-amino acid tricarboxylic acid or derivatives glutamic acid or derivatives aromatic homomonocyclic compound organic oxide phenylalanine or derivatives organic oxygen compound n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amphetamine or derivatives

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