DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:55 UTC
Update Date	2025-03-25 00:50:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02182869
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₃N₅O₄
Molecular Mass	291.0968
SMILES	O=c1[nH]c2nc[nH]c2c2c1ncn2C1CC(O)C(CO)O1
InChI Key	MTGFHPCTWUZGIR-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	2-halopyridines azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidazopyridines lactams monosaccharides n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds polyhalopyridines primary alcohols pyridinones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam polyhalopyridine monosaccharide imidazopyridine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound 2-halopyridine primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol imidazole[4,5-c]pyridine ribonucleoside,ribonucleotide or analogue vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine oxacycle pyridine organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound pyridinone organooxygen compound

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