DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:26 UTC
Update Date	2025-03-25 00:48:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02165731
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₃NO₃
Molecular Mass	241.1678
SMILES	CC=CCCCC(O)=NC(CC)CCC(=O)O
InChI Key	WKNJMRJDLABRJB-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	amino fatty acids carbonyl compounds carboximidic acids carboxylic acids fatty acyls hydrocarbon derivatives medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid gamma amino acid or derivatives organic 1,3-dipolar compound amino fatty acid medium-chain hydroxy acid propargyl-type 1,3-dipolar organic compound organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative medium-chain fatty acid organic nitrogen compound organooxygen compound

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