Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:09 UTC
Update Date2025-03-21 18:40:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00129794
Frequency19.6
Structure
Chemical FormulaC6H12O3
Molecular Mass132.0786
SMILESCC1OC(C)C(O)C1O
InChI KeyNHTBUPAGXNHQFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • monosaccharide
  • dialkyl ether
  • oxacycle
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound
  • 1,2-diol