Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:17:35 UTC
Update Date2025-03-24 23:52:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01246331
Frequency1.1
Structure
Chemical FormulaC5H11NO2
Molecular Mass117.079
SMILESCC1COC(CN)O1
InChI KeyTXPGXVRZEHXZET-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxolanes
Subclass 1,3-dioxolanes
Direct Parent 1,3-dioxolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • meta-dioxolane
  • oxacycle
  • organic oxygen compound
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound