Hmdb loader
Record Information
HMDB Statusdetected
Creation Date2024-02-20 23:50:01 UTC
Update Date2025-03-21 18:02:31 UTC
HMDB IDHMDB0245212
Metabolite Identification
DeepMet IDDMID00038602
Name2-Methyl-1,3-pentanediol
Frequency90.6
Structure
Chemical FormulaC6H14O2
Molecular Mass118.0994
SMILESCCC(O)C(C)CO
InChI KeySPXWGAHNKXLXAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • primary alcohols
  • Substituents
  • aliphatic acyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol