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	DMID02185746
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₃N₅O₇
Molecular Mass	327.0815
SMILES	Nc1nc2c(ncn2CC(O)C(O)C(O)C(=O)C(=O)O)c(=O)[nH]1
InChI Key	LCCKQUZUJMXNKI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	imidazopyrimidines
Subclass	purines and purine derivatives
Direct Parent	hypoxanthines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acyloins alpha-hydroxy ketones alpha-keto acids and derivatives amino acids amino fatty acids azacyclic compounds beta hydroxy acids and derivatives beta-hydroxy ketones carboxylic acids fatty acyls heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles lactams medium-chain keto acids and derivatives monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds primary amines purines and purine derivatives pyrimidones secondary alcohols vinylogous amides
Substituents	fatty acyl beta-hydroxy ketone carbonyl group lactam carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide pyrimidone alpha-hydroxy ketone carboxylic acid derivative pyrimidine ketone beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-keto acid organopnictogen compound hydroxy fatty acid azole n-substituted imidazole alcohol vinylogous amide azacycle heteroaromatic compound hydroxy acid amino fatty acid monocarboxylic acid or derivatives organic oxygen compound keto acid acyloin secondary alcohol hypoxanthine hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound medium-chain keto acid

Showing information for DMID02185746