Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:04 UTC
Update Date2025-03-25 00:50:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178699
Frequency0.5
Structure
Chemical FormulaC9H13N3
Molecular Mass163.1109
SMILESCn1cc(CCN)c2cc[nH]c21
InChI KeySZHKVBBFOBRRNA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent substituted pyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azoles
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • n-methylpyrroles
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • n-methylpyrrole
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • azole