Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:34 UTC
Update Date2025-03-21 18:39:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126005
Frequency20.3
Structure
Chemical FormulaC9H16O3
Molecular Mass172.1099
SMILESO=C(O)CC(O)CC1CCCC1
InChI KeyFVHKSMZGMTWYBC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent carbocyclic fatty acids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
  • Substituents
  • alcohol
  • carbocyclic fatty acid
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • hydroxy acid
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • hydroxy fatty acid
  • organooxygen compound