Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:34 UTC
Update Date2025-03-21 18:35:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104390
Frequency45.8
Structure
Chemical FormulaC11H14N4O4S
Molecular Mass298.0736
SMILESN=C(N)NCCc1c[nH]c2ccc(OS(=O)(=O)O)cc12
InChI KeyNLFNXNIUCLVNBY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass arylsulfates
Direct Parent arylsulfates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carboximidamides
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imines
  • indoles
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • pyrroles
  • sulfuric acid monoesters
  • Substituents
  • sulfuric acid monoester
  • azacycle
  • indole
  • guanidine
  • imine
  • heteroaromatic compound
  • indole or derivatives
  • carboximidamide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organoheterocyclic compound
  • organooxygen compound