DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:39 UTC
Update Date	2025-03-21 18:00:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00028197
Frequency	133.9
Structure
Chemical Formula	C₈H₁₃NO₅
Molecular Mass	203.0794
SMILES	O=C(O)C(CO)N1CCCC1C(=O)O
InChI Key	RFTIGXXGNZVHQM-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	alpha amino acids amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds primary alcohols pyrrolidine carboxylic acids serine and derivatives trialkylamines
Substituents	carbonyl group carboxylic acid amino acid beta-hydroxy acid organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine primary alcohol tertiary amine organoheterocyclic compound proline or derivatives alcohol azacycle n-alkylpyrrolidine tertiary aliphatic amine hydroxy acid pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound serine or derivatives amine organooxygen compound

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