Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:02 UTC
Update Date2025-03-25 00:47:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164799
Frequency0.5
Structure
Chemical FormulaC11H19N5O2
Molecular Mass253.1539
SMILESCC(O)C(O)CC1CNc2c(N)ncnc2N1C
InChI KeyXTHUGCXFQYLWDB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent dialkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • secondary alkylarylamines
  • Substituents
  • alcohol
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • dialkylarylamine
  • imidolactam
  • organoheterocyclic compound
  • organooxygen compound
  • 1,2-diol