DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:00 UTC
Update Date	2025-03-25 00:59:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237829
Frequency	0.5
Structure
Chemical Formula	C₇H₇N₅O₃
Molecular Mass	209.0549
SMILES	Nc1nc2[nH]nc(CC(=O)O)c2c(=O)[nH]1
InChI Key	MNRVROOFEAHLTP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pyrazolopyrimidines
Subclass	pyrazolo[3,4-d]pyrimidines
Direct Parent	pyrazolo[3,4-d]pyrimidines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives lactams monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines pyrazoles pyrimidones vinylogous amides
Substituents	carbonyl group lactam carboxylic acid amino acid or derivatives amino acid pyrimidone carboxylic acid derivative pyrazole pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound azole pyrazolo[3,4-d]pyrimidine vinylogous amide azacycle heteroaromatic compound monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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