DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:31 UTC
Update Date	2025-03-25 00:49:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175056
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₅N₂O₄+
Molecular Mass	273.1809
SMILES	CCCCCC=C(NC(C(=O)O)[N+](C)(C)C)C(=O)O
InChI Key	DMMBFEQLNWSOIS-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 acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts unsaturated fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty acid unsaturated fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organic cation organic salt secondary aliphatic amine tetraalkylammonium salt secondary amine amino fatty acid organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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