DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:40:54 UTC
Update Date	2025-03-21 17:58:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00017318
Frequency	244.0
Structure
Chemical Formula	C₇H₁₂NO₃+
Molecular Mass	158.0812
SMILES	C[N+]1(C)C(=O)CCC1C(=O)O
InChI Key	UMWABKTUUTZNGF-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	proline and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpyrrolidines organic cations organic oxides organonitrogen compounds organopnictogen compounds oxoprolines pyrrolidine carboxylic acids pyrrolidine-2-ones
Substituents	2-pyrrolidone carbonyl group carboxylic acid organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organic cation pyrrolidine pyrrolidone organoheterocyclic compound proline or derivatives oxoproline azacycle n-alkylpyrrolidine monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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