DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:11 UTC
Update Date	2025-03-25 00:51:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185730
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₁N₅O₉
Molecular Mass	439.1339
SMILES	Nc1nc2c(cc1C(=O)NC(CCC(=O)O)C(=O)O)ncn2C1OC(CO)C(O)C1O
InChI Key	UIJHEUDURONIIK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	glutamic acid and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidazopyridines imidolactams monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds polyhalopyridines primary alcohols primary amines pyridinecarboxylic acids and derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carbonyl group carboxylic acid amino acid polyhalopyridine monosaccharide imidazopyridine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound 2-halopyridine primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound hydroxypyridine glutamic acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide pyridine organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID02185730