Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:51 UTC
Update Date2025-03-25 00:50:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182743
Frequency0.5
Structure
Chemical FormulaC7H13NO3
Molecular Mass159.0895
SMILESO=CC(O)C(O)C1CCNC1
InChI KeyMNBQWLBANKNRIP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha-hydroxyaldehydes
  • azacyclic compounds
  • beta-hydroxy aldehydes
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrrolidines
  • secondary alcohols
  • Substituents
  • alcohol
  • secondary aliphatic amine
  • beta-hydroxy aldehyde
  • carbonyl group
  • azacycle
  • monosaccharide
  • aldehyde
  • secondary amine
  • organic oxide
  • alpha-hydroxyaldehyde
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • amine
  • 1,2-diol