DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:44 UTC
Update Date	2025-03-25 00:54:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207473
Frequency	0.5
Structure
Chemical Formula	C₈H₉N₅O₃
Molecular Mass	223.0705
SMILES	Nc1nc(=O)c2c(NC(=O)CO)c[nH]c2[nH]1
InChI Key	UHZATOHFSPGPGC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pyrrolopyrimidines
Subclass	pyrrolo[2,3-d]pyrimidines
Direct Parent	pyrrolo[2,3-d]pyrimidines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alcohols and polyols amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives n-arylamides organic oxides organopnictogen compounds primary amines pyrimidones pyrroles secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group amino acid or derivatives pyrimidone n-arylamide carboxylic acid derivative pyrimidine organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound alcohol vinylogous amide azacycle heteroaromatic compound carboxamide group secondary carboxylic acid amide organic oxygen compound pyrrole hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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