Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:14 UTC
Update Date2025-03-25 00:51:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185855
Frequency0.5
Structure
Chemical FormulaC8H15NO4
Molecular Mass189.1001
SMILESO=C(CO)C(O)C(O)C1CCCN1
InChI KeyIWADQRRIUQHJPQ-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
  • acyloins
  • alpha-hydroxy ketones
  • azacyclic compounds
  • beta-hydroxy ketones
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrrolidines
  • secondary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • secondary aliphatic amine
  • carbonyl group
  • azacycle
  • monosaccharide
  • secondary amine
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • acyloin
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • amine