DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:14 UTC
Update Date	2025-03-25 00:58:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233810
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₅N₂O₅+
Molecular Mass	289.1758
SMILES	C[N+](C)(C)C(O)C(CCC(=O)O)N1CCCC1C(=O)O
InChI Key	IZOUVCAAYUVYSZ-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 amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hemiaminals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids n-alkylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds pyrrolidine carboxylic acids short-chain hydroxy acids and derivatives tetraalkylammonium salts trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid heterocyclic fatty acid fatty acid hemiaminal organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound hydroxy fatty acid organic cation organic salt pyrrolidine tertiary amine organoheterocyclic compound alkanolamine proline or derivatives tetraalkylammonium salt azacycle n-alkylpyrrolidine tertiary aliphatic amine amino fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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