Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:29:35 UTC
Update Date2025-03-24 22:14:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01129000
Frequency1.2
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC1CCC2(OCCO2)O1
InChI KeyVLZRESTYJACWNH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorthocarboxylic acid derivatives
Subclass carboxylic acid orthoesters
Direct Parent carboxylic acid orthoesters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • hydrocarbon derivatives
  • ortho esters
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • oxacycle
  • meta-dioxolane
  • organic oxygen compound
  • ortho ester
  • tetrahydrofuran
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • carboxylic acid orthoester
  • organoheterocyclic compound
  • organooxygen compound