DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:42 UTC
Update Date	2025-03-25 00:57:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225944
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₅N₂O₅+
Molecular Mass	289.1758
SMILES	CC(=O)NCCCC(=O)OC(CCC(=O)O)[N+](C)(C)C
InChI Key	HSMRHXSYRRZBMZ-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acetamides carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters hydrocarbon derivatives organic cations organic oxides organic salts organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid tetraalkylammonium salt gamma amino acid or derivatives carboxamide group secondary carboxylic acid amide fatty acid ester organic oxide organic oxygen compound carboxylic acid ester organonitrogen compound dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative organic nitrogen compound organic cation organic salt acetamide organooxygen compound

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