DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:32 UTC
Update Date	2025-03-21 18:01:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00034992
Frequency	102.3
Structure
Chemical Formula	C₈H₁₃NO₅
Molecular Mass	203.0794
SMILES	CC(C(=O)O)N1CC(O)CC1C(=O)O
InChI Key	XKLOAIONPWFRBQ-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 alanine and derivatives alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidine carboxylic acids secondary alcohols trialkylamines
Substituents	carbonyl group carboxylic acid amino acid organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives alcohol azacycle n-alkylpyrrolidine 1,2-aminoalcohol tertiary aliphatic amine pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives alanine or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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