DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:58 UTC
Update Date	2025-03-21 18:28:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00074104
Frequency	46.7
Structure
Chemical Formula	C₁₈H₂₇N₃O₄
Molecular Mass	349.2002
SMILES	CC(C)CC(NC(=O)C(C)NC(=O)C(N)Cc1ccccc1)C(=O)O
InChI Key	BBDSZDHUCPSYAC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-substituted-alpha-amino acid aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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