Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:00:43 UTC
Update Date2025-03-24 19:51:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01059430
Frequency1.3
Structure
Chemical FormulaC5H10O3
Molecular Mass118.063
SMILESCC1(C(O)CO)CO1
InChI KeyREKLCZSNEUFIBP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent 1,2-diols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • Substituents
  • ether
  • oxirane
  • dialkyl ether
  • oxacycle
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound
  • 1,2-diol