DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:42 UTC
Update Date	2025-03-21 18:39:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00123941
Frequency	20.8
Structure
Chemical Formula	C₁₃H₂₅N₂O₆+
Molecular Mass	305.1707
SMILES	C[N+](C)(C)C(CCC(=O)O)OC(=O)CCCC(N)C(=O)O
InChI Key	XSNUKWFUMOGATN-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	delta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acid esters carboxylic acids fatty acid esters hydrocarbon derivatives monoalkylamines organic cations organic oxides organic salts organonitrogen compounds organopnictogen compounds tetraalkylammonium salts tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid tetraalkylammonium salt tricarboxylic acid or derivatives alpha-amino acid or derivatives fatty acid ester organic oxide organic oxygen compound carboxylic acid ester organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic cation organic salt organooxygen compound

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