DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:49 UTC
Update Date	2025-03-25 00:47:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02162011
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₆NO₅+
Molecular Mass	230.1023
SMILES	O=C(O)C1CCC[N+]12CC(O)CC2C(=O)O
InChI Key	FPWKVGJITQCTAF-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,2-aminoalcohols amines azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives n-alkylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds pyrrolidine carboxylic acids secondary alcohols tetraalkylammonium salts
Substituents	carbonyl group carboxylic acid organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound organic cation organic salt pyrrolidine organoheterocyclic compound alcohol tetraalkylammonium salt azacycle n-alkylpyrrolidine 1,2-aminoalcohol quaternary ammonium salt pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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