DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:39 UTC
Update Date	2025-03-21 17:59:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00018979
Frequency	217.1
Structure
Chemical Formula	C₁₅H₁₉N₂O₉+
Molecular Mass	371.1085
SMILES	O=C(O)CC(NC(=O)c1ccc[n+](C2OC(CO)C(O)C2O)c1)C(=O)O
InChI Key	APKOCQPOLNYLNF-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	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monosaccharides n-acyl-alpha amino acids nicotinamides organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols pyridinecarboxylic acids and derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carbonyl group carboxylic acid aromatic heteromonocyclic compound nicotinamide monosaccharide saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group oxacycle secondary carboxylic acid amide pyridine organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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