DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:16 UTC
Update Date	2025-03-25 01:01:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250005
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₁N₂O₄+
Molecular Mass	233.1496
SMILES	C[N+](C)(C)C(CCC(=O)O)NCCC(=O)O
InChI Key	SLGISFLCPFCNSM-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	beta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	aminals amino acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	aliphatic acyclic compound secondary aliphatic amine carbonyl group carboxylic acid tetraalkylammonium salt amino acid fatty acid aminal secondary amine beta amino acid or derivatives organic oxide organic oxygen compound organonitrogen compound dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative organic nitrogen compound organic cation organic salt organooxygen compound amine

Showing information for DMID02250005