Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:46:07 UTC
Update Date2025-03-21 22:56:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00595002
Frequency2.7
Structure
Chemical FormulaC5H12O3
Molecular Mass120.0786
SMILESCC(O)C(C)C(O)O
InChI KeyKGAYOPFSUQMTPR-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
  • carbonyl hydrates
  • hydrocarbon derivatives
  • Substituents
  • aliphatic acyclic compound
  • carbonyl hydrate
  • secondary alcohol
  • hydrocarbon derivative