DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:56 UTC
Update Date	2025-03-21 18:39:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00126889
Frequency	20.1
Structure
Chemical Formula	C₁₂H₂₄N₃O₅+
Molecular Mass	290.171
SMILES	C[N+](C)(C)C(C(=O)O)C(=O)NCCCCC(N)C(=O)O
InChI Key	FSJAYPQLHHVWGV-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 amides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	1,3-dicarbonyl compounds alpha amino acids amines amino fatty acids carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty acid organic oxide alpha-amino acid organonitrogen compound organopnictogen compound medium-chain fatty acid organic cation organic salt alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group amino fatty acid secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound amine organooxygen compound

Showing information for DMID00126889