Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:32:42 UTC
Update Date2025-03-21 22:49:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00562792
Frequency2.9
Structure
Chemical FormulaC6H11NO3
Molecular Mass145.0739
SMILESOC1CC2COC(N2)C1O
InChI KeyCAZUXYFKIKRVPF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • dialkylamines
  • hemiaminals
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • oxazolidines
  • piperidines
  • secondary alcohols
  • Substituents
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • hemiaminal
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • oxazolidine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • piperidine
  • organooxygen compound
  • amine
  • 1,2-diol