DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:08 UTC
Update Date	2025-03-21 17:58:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00017832
Frequency	239.6
Structure
Chemical Formula	C₈H₉N₅O₃
Molecular Mass	223.0705
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CC(=O)O)=N2
InChI Key	APCPDMJXWHMIBF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives ketimines monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	ketimine carbonyl group carboxylic acid amino acid or derivatives amino acid imine pyrimidone carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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