Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:29 UTC
Update Date2025-03-25 00:57:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223292
Frequency0.5
Structure
Chemical FormulaC7H13NO2
Molecular Mass143.0946
SMILESNCC1(O)CC2CCC1O2
InChI KeyNNEPKSOKZQPKFP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • tertiary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • monosaccharide
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • tertiary alcohol
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound