DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:37 UTC
Update Date	2025-03-25 00:45:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02150247
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃N₂O₈+
Molecular Mass	371.1449
SMILES	NC(CCCc1ccc(C(=O)O)c[n+]1C1OC(CO)C(O)C1O)C(=O)O
InChI Key	QMCZVHIIQLVRLY-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	aromatic heteromonocyclic compounds
Alternative Parents	2-halopyridines amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids hydroxypyridines medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monosaccharides organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds polyhalopyridines primary alcohols pyridine-3-carboxylic acids secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid pyridine-3-carboxylic acid polyhalopyridine monosaccharide fatty acid medium-chain hydroxy acid saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid 2-halopyridine organic cation primary alcohol organoheterocyclic compound alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine amino fatty acid oxacycle pyridine organic oxygen compound pyridine carboxylic acid secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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