DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:31 UTC
Update Date	2025-03-25 00:53:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202406
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₁N₂O₆+
Molecular Mass	277.1394
SMILES	C[N+](C)(C)C(CCC(=O)O)OC(=O)C(N)CC(=O)O
InChI Key	JKTRRFGNFISSDC-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	aspartic acid and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid esters 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 alpha-amino acid ester tricarboxylic acid or derivatives fatty acid ester organic oxide organic oxygen compound carboxylic acid ester aspartic acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic cation organic salt organooxygen compound

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