DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:49 UTC
Update Date	2025-03-21 18:40:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00128997
Frequency	19.7
Structure
Chemical Formula	C₉H₁₄N₂O₄
Molecular Mass	214.0954
SMILES	NC(CCC(=O)O)C(=O)C1CCC(O)=N1
InChI Key	GDVOJLTZTFBVSU-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 heteromonocyclic compounds
Alternative Parents	amino fatty acids azacyclic compounds carboxylic acids cyclic carboximidic acids heterocyclic fatty acids hydrocarbon derivatives ketones medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrrolines
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid gamma amino acid or derivatives fatty acid medium-chain hydroxy acid propargyl-type 1,3-dipolar organic compound ketone organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound medium-chain fatty acid organoheterocyclic compound azacycle organic 1,3-dipolar compound amino fatty acid monocarboxylic acid or derivatives pyrroline organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound cyclic carboximidic acid organooxygen compound

Showing information for DMID00128997