DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:31 UTC
Update Date	2025-03-25 00:57:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223354
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₉N₂O₅+
Molecular Mass	319.1288
SMILES	NC(Cc1cc[n+](CCc2ccc(O)c(O)c2)cc1O)C(=O)O
InChI Key	WGHFQLKUCDMRNF-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkylamines monocarboxylic acids and derivatives organic cations organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound polyhalopyridine 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organoheterocyclic compound azacycle heteroaromatic compound hydroxypyridine 1-hydroxy-4-unsubstituted benzenoid monocarboxylic acid or derivatives pyridine organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02223354