DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:13 UTC
Update Date	2025-03-25 00:56:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220393
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₃N₂O₅+
Molecular Mass	275.1601
SMILES	C[N+](C)(C)CC(=O)CC(CCC(=O)O)NCC(=O)O
InChI Key	QKTQXELOKJSANH-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	alpha amino acids alpha-amino ketones amino acids amino fatty acids carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid gamma amino acid or derivatives fatty acid alpha-amino acid or derivatives ketone organic oxide alpha-aminoketone organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organic cation organic salt secondary aliphatic amine tetraalkylammonium salt quaternary ammonium salt secondary amine amino fatty acid organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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