DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:06 UTC
Update Date	2025-03-25 00:59:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240334
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₄N₆O₂
Molecular Mass	298.1178
SMILES	NC(Cc1ccc(Nc2ncnc3nc[nH]c23)cc1)C(=O)O
InChI Key	ZNVGWHHTKXSTQR-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 heteropolycyclic 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 imidazoles imidolactams monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylpropanoic acids purines and purine derivatives pyrimidines and pyrimidine derivatives secondary amines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound amphetamine or derivatives azole azacycle heteroaromatic compound secondary amine monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine purine organic nitrogen compound organooxygen compound amine

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