DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:16 UTC
Update Date	2025-03-21 18:01:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00034368
Frequency	123.0
Structure
Chemical Formula	C₁₆H₂₀N₄O₃
Molecular Mass	316.1535
SMILES	COC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1c[nH]cn1
InChI Key	BEFWETDSPCBUHS-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	peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acid esters alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds fatty acid esters fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles methyl esters monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound fatty amide alpha-amino acid or derivatives alpha peptide organic oxide methyl ester imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives azole n-acyl-alpha amino acid or derivatives alpha-amino acid 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 aliphatic amine organic nitrogen compound organooxygen compound

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