DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:25 UTC
Update Date	2025-03-25 00:53:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202200
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₈N₃O₄+
Molecular Mass	290.2074
SMILES	C[N+](C)(C)CCOC(=O)CNCCCCC(N)C(=O)O
InChI Key	YHLAYKDFFKXMHV-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	acyl cholines alpha amino acids amino acids amino fatty acids carbonyl compounds carboxylic acid esters carboxylic acids dialkylamines dicarboxylic acids and derivatives 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 amino acid fatty acid medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organic cation organic salt secondary aliphatic amine tetraalkylammonium salt alpha-amino acid ester quaternary ammonium salt secondary amine amino fatty acid organic oxygen compound carboxylic acid ester acyl choline dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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