DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:12 UTC
Update Date	2025-03-21 18:06:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00062646
Frequency	49.4
Structure
Chemical Formula	C₁₆H₂₀N₄O₃
Molecular Mass	316.1535
SMILES	Cn1cnc(CC(N)C(=O)NC(Cc2ccccc2)C(=O)O)c1
InChI Key	PSMDNLNPHFQVCD-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid fatty amide alpha-amino acid or derivatives organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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