DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:07 UTC
Update Date	2025-03-25 00:52:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02196879
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₉NO₄
Molecular Mass	241.1314
SMILES	CCC=CC=CCC(O)=NCC(O)CC(=O)O
InChI Key	HBGOADLTNFLVFQ-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	beta hydroxy acids and derivatives carbonyl compounds carboximidic acids carboxylic acids fatty acyls hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols short-chain hydroxy acids and derivatives
Substituents	alcohol fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid gamma amino acid or derivatives organic 1,3-dipolar compound hydroxy acid propargyl-type 1,3-dipolar organic compound beta-hydroxy acid organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound secondary alcohol organopnictogen compound hydrocarbon derivative hydroxy fatty acid organic nitrogen compound organooxygen compound

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