DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:17 UTC
Update Date	2025-03-25 00:54:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208810
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₄N₂O₄
Molecular Mass	308.1736
SMILES	CC(C)C(O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1
InChI Key	XMSOEAQBKUIUBK-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 benzene and substituted derivatives beta amino acids and derivatives branched fatty acids carbocyclic fatty acids carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary alcohols 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 medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives alcohol alpha-amino acid amide carboxamide group amino fatty acid branched fatty acid beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound secondary alcohol hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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