DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:37 UTC
Update Date	2025-03-25 00:51:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189062
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₅N₃O₄
Molecular Mass	347.1845
SMILES	CC(C)CC(NC(=O)C(N)Cc1ccccc1)C(=C=O)NCC(=O)O
InChI Key	VBRCXHKCHYTARM-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds secondary carboxylic acid amides ynolates
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives secondary aliphatic amine alpha-amino acid amide secondary amine carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound ynolate hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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