Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:33:49 UTC
Update Date2025-03-21 19:57:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00282638
Frequency7.1
Structure
Chemical FormulaC6H13NO2
Molecular Mass131.0946
SMILESCC1(C)OCC(CN)O1
InChI KeyHXOYWCSTHVTLOW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • meta-dioxolane
  • oxacycle
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound