DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:41 UTC
Update Date	2025-03-25 00:49:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173160
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₇N₃O₃
Molecular Mass	333.2052
SMILES	CCC(C)C(=O)C(CCC(N)=O)NC(=O)C(N)Cc1ccccc1
InChI Key	XNNUIEOANUHCHM-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 amphetamines and derivatives benzene and substituted derivatives carboxylic acids and derivatives fatty amides gamma amino acids and derivatives hydrocarbon derivatives ketones monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group gamma amino acid or derivatives fatty amide alpha-amino acid or derivatives carboxylic acid derivative ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alpha-amino acid amide carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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