Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:13:38 UTC
Update Date2025-03-24 22:40:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01236695
Frequency1.1
Structure
Chemical FormulaC5H10N2O
Molecular Mass114.0793
SMILESCC1=NCC(CN)O1
InChI KeyWTYHBTFRNREHPH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass oxazolines
Direct Parent oxazolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • imidoesters
  • monoalkylamines
  • 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
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound