Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:45 UTC
Update Date2025-03-21 18:03:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00047570
Frequency132.0
Structure
Chemical FormulaC9H14N3O6PS
Molecular Mass323.0341
SMILESNc1ccn(C2CC(O)C(COP(=O)(O)S)O2)c(=O)n1
InChI KeyFHBXKBNKQMSUIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • monosaccharide
  • pyrimidone
  • oxacycle
  • saccharide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound