DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:14 UTC
Update Date	2025-03-25 00:56:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220412
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₅N₂O₇+
Molecular Mass	321.1656
SMILES	C[N+](C)(C)C(CCC(=O)O)OC(=O)C(O)CCC(N)C(=O)O
InChI Key	XBAWEOAAUAAUGL-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 monosaccharides organic cations organic oxides organic salts organonitrogen compounds organopnictogen compounds secondary alcohols tetraalkylammonium salts tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid monosaccharide tricarboxylic acid or derivatives alpha-amino acid or derivatives saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives organic cation organic salt alcohol tetraalkylammonium salt fatty acid ester organic oxygen compound carboxylic acid ester secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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