Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:11:08 UTC
Update Date2025-03-21 19:06:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00229875
Frequency9.3
Structure
Chemical FormulaC4H9NO2
Molecular Mass103.0633
SMILESOCC1(O)CNC1
InChI KeySVGVQQICUXXQHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • azetidines
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • azetidine
  • tertiary alcohol
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine
  • 1,2-diol