DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:01 UTC
Update Date	2025-03-25 00:46:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02155880
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₃N₂O₄+
Molecular Mass	247.1652
SMILES	C[N+](C)(C)CCOC(=O)CC(N)CCC(=O)O
InChI Key	SGZBRZBXNUDYMS-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	acyl cholines amines amino fatty acids carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters hydrocarbon derivatives medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid medium-chain hydroxy acid organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid organic cation organic salt tetraalkylammonium salt quaternary ammonium salt amino fatty acid beta amino acid or derivatives fatty acid ester organic oxygen compound carboxylic acid ester acyl choline dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

Showing information for DMID02155880