Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:50:48 UTC
Update Date2025-03-21 18:02:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00040442
Frequency85.4
Structure
Chemical FormulaC8H16O2
Molecular Mass144.115
SMILESCCCCC(O)C(=O)CC
InChI KeySAWISPQERKUOFG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyloins
  • alpha-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • monosaccharide
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative