DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:33 UTC
Update Date	2025-03-25 00:51:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184281
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁N₃O₅
Molecular Mass	323.1481
SMILES	NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(N)CC(=O)O
InChI Key	CIPUAVDBGYGQPT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino fatty acids amphetamines and derivatives aspartic acid and derivatives benzene and substituted derivatives beta amino acids and derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid amphetamine or derivatives alpha-amino acid amide carboxamide group amino fatty acid n-acyl-amine beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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