DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:46 UTC
Update Date	2025-03-25 00:48:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171060
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₆N₄O₃
Molecular Mass	288.1222
SMILES	COC(=O)C(Cc1ccccc1)NC(=O)c1[nH]cnc1N
InChI Key	JPSNEMNRPGXJAX-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 acid esters alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carbonylimidazoles fatty acid esters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams methyl esters monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl carbonyl group monocyclic benzene moiety aromatic heteromonocyclic compound 2-heteroaryl carboxamide organic oxide methyl ester 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 alpha-amino acid ester azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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