Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:39:44 UTC
Update Date2025-03-25 00:22:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01298955
Frequency1.0
Structure
Chemical FormulaC6H13NO2
Molecular Mass131.0946
SMILESCC(O)CCC(N)C=O
InChI KeyZMVHGKATLIVNJD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldehydes
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • aldehyde
  • organic oxide
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound