Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:37:01 UTC
Update Date2025-03-24 22:09:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02007408
Frequency0.6
Structure
Chemical FormulaC7H13NO
Molecular Mass127.0997
SMILESCC1(CN)C=CCCO1
InChI KeyJBESMEUHSFBZTC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyrans
Direct Parent pyrans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • ether
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • pyran
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound