DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:53 UTC
Update Date	2025-03-25 01:01:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02246859
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₀N₂O₅
Molecular Mass	308.1372
SMILES	CCC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccc(O)cc1
InChI Key	XTKQMLGKQWJNFO-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	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino fatty acids amphetamines and derivatives benzene and substituted derivatives beta amino acids and derivatives carbocyclic fatty acids carboxylic acids fatty amides gamma-keto acids and derivatives hydrocarbon derivatives hydroxy fatty acids ketones medium-chain keto acids and derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid amphetamine or derivatives tyrosine or derivatives alpha-amino acid amide carboxamide group amino fatty acid beta amino acid or derivatives gamma-keto acid aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound keto acid hybrid peptide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound medium-chain keto acid

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