DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:17 UTC
Update Date	2025-03-21 18:28:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00072420
Frequency	41.3
Structure
Chemical Formula	C₁₃H₁₄N₄O₃
Molecular Mass	274.1066
SMILES	Nc1nc[nH]c1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	WMAANFRFGAMMBI-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 heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carbonylimidazoles carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylpropanoic acids primary amines secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group monocyclic benzene moiety carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid 2-heteroaryl carboxamide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group imidolactam organoheterocyclic compound amphetamine or derivatives azole n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group secondary carboxylic acid amide 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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