Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:34:17 UTC
Update Date2025-03-24 20:48:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01572992
Frequency0.8
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC1C(=O)CCC(O)C1O
InChI KeyLPCONWIUCVESKX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclic alcohols and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • carbonyl group
  • cyclic ketone
  • cyclic alcohol
  • ketone
  • organic oxide
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,2-diol