DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:04 UTC
Update Date	2025-03-25 01:02:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02254057
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₅N₃O₄
Molecular Mass	323.1845
SMILES	CC(N)C(=O)NC(Cc1ccccc1)C(O)CNC(C)C(=O)O
InChI Key	PEXMLKMQFNNSPM-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	alpha amino acid amides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acids amino acids amphetamines and derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylbutylamines secondary alcohols secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid organic oxide phenylbutylamine organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alcohol secondary aliphatic amine alpha-amino acid amide secondary amine carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol alanine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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