DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:08 UTC
Update Date	2025-03-21 18:41:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00132113
Frequency	19.1
Structure
Chemical Formula	C₁₂H₂₆N₂O₄+₂
Molecular Mass	262.1882
SMILES	C[N+](C)(C)CC(=O)OC(CCC(=O)O)[N+](C)(C)C
InChI Key	IZIAYXNVEXFNFV-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 acid esters
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amines carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives organic cations organic oxides organic salts organopnictogen compounds short-chain hydroxy acids and derivatives tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid tetraalkylammonium salt alpha-amino acid ester quaternary ammonium salt fatty acid organic oxide organic oxygen compound carboxylic acid ester organonitrogen compound alpha-amino acid dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative organic nitrogen compound organic cation organic salt amine organooxygen compound

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