DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:51 UTC
Update Date	2025-03-25 00:54:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207759
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₅N₅O₃
Molecular Mass	301.1175
SMILES	Nc1ncnc(N)c1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	NDQWFWHQYZPHDH-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	alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylpropanoic acids primary amines pyrimidinecarboxylic acids and derivatives secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid pyrimidine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives 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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