DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:06 UTC
Update Date	2025-03-25 00:50:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02181029
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₈N₄O₁₀
Molecular Mass	426.1023
SMILES	O=C(O)CC(Nc1ncc(C(=O)O)c2c1ncn2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	OGPCVNKXIPDIOZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole[4,5-c]pyridine ribonucleosides and ribonucleotides
Subclass	imidazole[4,5-c]pyridine ribonucleosides and ribonucleotides
Direct Parent	imidazole[4,5-c]pyridine ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 2-halopyridines alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidazopyridines imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds polyhalopyridines primary alcohols pyridine-3-carboxylic acids secondary alcohols secondary alkylarylamines tetrahydrofurans tricarboxylic acids and derivatives vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carbonyl group carboxylic acid amino acid or derivatives amino acid pyridine-3-carboxylic acid polyhalopyridine monosaccharide tricarboxylic acid or derivatives alpha-amino acid or derivatives imidazopyridine carboxylic acid derivative saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound 2-halopyridine primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol imidazole[4,5-c]pyridine ribonucleoside,ribonucleotide or analogue vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine secondary amine secondary aliphatic/aromatic amine oxacycle pyridine organic oxygen compound pyridine carboxylic acid aspartic acid or derivatives secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound amine

Showing information for DMID02181029