Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:38:17 UTC
Update Date2025-03-21 19:59:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00292735
Frequency6.8
Structure
Chemical FormulaC4H9NO2
Molecular Mass103.0633
SMILESNCC1(O)COC1
InChI KeyVJXPRLZGWQAQEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxetanes
  • Substituents
  • ether
  • dialkyl ether
  • oxacycle
  • tertiary alcohol
  • oxetane
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound