Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:27:28 UTC
Update Date2025-03-24 14:19:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00836687
Frequency1.8
Structure
Chemical FormulaC5H10O3
Molecular Mass118.063
SMILESCC1OCC1(O)CO
InChI KeyZLLHWBXHQFMAHH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
  • Substituents
  • ether
  • dialkyl ether
  • oxacycle
  • tertiary alcohol
  • oxetane
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • 1,2-diol