DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:45 UTC
Update Date	2025-03-25 00:46:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152903
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₃N₃O₃
Molecular Mass	223.0957
SMILES	NC(=O)NC(Cc1ccc(N)cc1)C(=O)O
InChI Key	VPAUYOPCHRTEQA-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 amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organopnictogen compounds phenylpropanoic acids primary amines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid organic oxide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives carbonic acid derivative n-carbamoyl-alpha-amino acid aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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