DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:18 UTC
Update Date	2025-03-21 18:30:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00082113
Frequency	77.1
Structure
Chemical Formula	C₉H₁₃N₅O₄
Molecular Mass	255.0968
SMILES	CC(O)C(O)C1Nc2[nH]c(N)nc(=O)c2N=C1O
InChI Key	ZWMOKVFNOCXQJL-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	1,2-diols azacyclic compounds cyclic carboximidic acids heteroaromatic compounds hydrocarbon derivatives organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alcohols secondary alkylarylamines vinylogous amides
Substituents	pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 1,2-diol alcohol vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound cyclic carboximidic acid amine organooxygen compound

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