DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:27 UTC
Update Date	2025-03-21 18:05:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00056117
Frequency	56.8
Structure
Chemical Formula	C₇H₁₄NO₄+
Molecular Mass	176.0917
SMILES	C[N+]1(C)C(C(=O)O)CC(O)C1O
InChI Key	IFEBKHGQCBQKQW-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 hemiaminals hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpyrrolidines organic cations organic oxides organic salts organonitrogen compounds organopnictogen compounds pyrrolidine carboxylic acids secondary alcohols tetraalkylammonium salts
Substituents	carbonyl group carboxylic acid hemiaminal organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt pyrrolidine organoheterocyclic compound alkanolamine proline or derivatives alcohol tetraalkylammonium salt azacycle n-alkylpyrrolidine monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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