DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:03 UTC
Update Date	2025-03-21 18:03:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00043485
Frequency	78.1
Structure
Chemical Formula	C₁₀H₁₅N₅O₃
Molecular Mass	253.1175
SMILES	CC(C)(O)C(O)C1=Nc2c([nH]c(N)nc2=O)NC1
InChI Key	XNDXNCRIEGCYRF-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 heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alcohols secondary alkylarylamines tertiary alcohols vinylogous amides
Substituents	ketimine imine 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 tertiary alcohol organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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