Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:14:35 UTC
Update Date2025-03-24 19:58:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01092689
Frequency1.3
Structure
Chemical FormulaC5H13NO3
Molecular Mass135.0895
SMILESNCCCC(O)C(O)O
InChI KeyIBBXTOQEBSIBGL-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
  • carbonyl hydrates
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl hydrate
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound