DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:09 UTC
Update Date	2025-03-25 00:57:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226937
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃NO₃
Molecular Mass	277.1678
SMILES	CC(C)CC(=O)NC(CCCc1ccccc1)C(=O)O
InChI Key	ZEYYBWLIMKQCGT-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino fatty acids branched fatty acids carbocyclic fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives medium-chain fatty acids monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds phenylbutylamines secondary carboxylic acid amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid fatty amide fatty acid organic oxide phenylbutylamine organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid n-acyl-alpha-amino acid 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 hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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