DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:13 UTC
Update Date	2025-03-21 18:38:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120499
Frequency	27.1
Structure
Chemical Formula	C₁₅H₂₃N₃O₃
Molecular Mass	293.1739
SMILES	CC(C)CC(N)C(O)=NC(Cc1ccc(N)cc1)C(=O)O
InChI Key	VSEWVXUTALJRTD-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 acids amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives organic 1,3-dipolar compound aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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