DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:25 UTC
Update Date	2025-03-25 00:47:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161103
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₉N₃O₆
Molecular Mass	289.1274
SMILES	NCC(O)=NC(CCN1CC(O)CC1C(=O)O)C(=O)O
InChI Key	IZLMAZIHXQETEA-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	proline and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,2-aminoalcohols alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboximidic acids carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines n-alkylpyrrolidines organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrrolidine carboxylic acids secondary alcohols short-chain hydroxy acids and derivatives trialkylamines
Substituents	fatty acyl carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid amino acid heterocyclic fatty acid fatty acid propargyl-type 1,3-dipolar organic compound organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound hydroxy fatty acid pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives alcohol azacycle n-alkylpyrrolidine 1,2-aminoalcohol tertiary aliphatic amine organic 1,3-dipolar compound amino fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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