Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:32:07 UTC
Update Date2025-03-24 22:06:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01995575
Frequency0.6
Structure
Chemical FormulaC3H5NO2
Molecular Mass87.032
SMILESOC1COC=N1
InChI KeyJTCACAAUGPQHLL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass oxazolines
Direct Parent oxazolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkanolamines
  • azacyclic compounds
  • hydrocarbon derivatives
  • imidoesters
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • azacycle
  • organic 1,3-dipolar compound
  • imido ester
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • oxazoline
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • alkanolamine