DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:02 UTC
Update Date	2025-03-25 01:01:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247224
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₉N₃O₃
Molecular Mass	335.2209
SMILES	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(N)Cc1ccccc1
InChI Key	XCJNXCWBSJGYCQ-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 branched fatty acids carbocyclic fatty acids carbonyl compounds carboxylic acids delta amino acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives isoleucine and derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives 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 gamma amino acid or derivatives fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives medium-chain fatty acid isoleucine or derivatives amphetamine or derivatives alpha-amino acid amide carboxamide group amino fatty acid branched fatty acid n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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