DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:32 UTC
Update Date	2025-03-21 18:04:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00049409
Frequency	66.8
Structure
Chemical Formula	C₉H₉N₅O₄
Molecular Mass	251.0655
SMILES	Nc1nc(=O)c2c([nH]1)NCC(C(=O)CC(=O)O)=N2
InChI Key	YPWHEDRSWYVRQM-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 beta-hydroxy ketones beta-keto acids and derivatives 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	beta-hydroxy ketone ketimine carbonyl group carboxylic acid amino acid or derivatives amino acid imine pyrimidone carboxylic acid derivative beta-keto acid pyrimidine propargyl-type 1,3-dipolar organic compound ketone 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 keto acid hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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