DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:11 UTC
Update Date	2025-03-25 00:57:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02227015
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₀N₂O₅
Molecular Mass	378.2155
SMILES	CC(C)CC(N=C(O)C(Cc1ccccc1)NC(=O)C(O)C(C)C)C(=O)O
InChI Key	GGJLZESOYKHNFU-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	leucine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid fatty amide propargyl-type 1,3-dipolar organic compound organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alcohol organic 1,3-dipolar compound carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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