DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:06 UTC
Update Date	2025-03-21 18:05:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00055275
Frequency	58.0
Structure
Chemical Formula	C₁₆H₂₄N₂O₄
Molecular Mass	308.1736
SMILES	CC(C)CC(O)C(NC(=O)C(N)Cc1ccccc1)C(=O)O
InChI Key	QGDRPPSLMHVLOX-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 homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino fatty acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy 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 n-acyl-alpha amino acids 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 medium-chain hydroxy acid beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid carboxamide group amino fatty acid branched fatty acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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