DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:54 UTC
Update Date	2025-03-25 00:54:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207886
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁N₃O₄
Molecular Mass	307.1532
SMILES	CC(C)CC(NC(=O)c1ccccc1N)C(=O)NCC(=O)O
InChI Key	MOSVXDKRZHZGIT-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	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids benzoyl derivatives carbonyl compounds carboxylic acids dipeptides hippuric acids and derivatives hydrocarbon derivatives leucine and derivatives monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid fatty amide benzoyl alpha peptide benzamide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide alpha-amino acid amide hippuric acid or derivatives benzoic acid or derivatives carboxamide group n-acyl-amine n-acylglycine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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