Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:52:14 UTC
Update Date2025-03-24 18:00:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01039612
Frequency1.3
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESOCC1(O)C=COCC1
InChI KeyJZLYBLQAPVOLAL-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
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • tertiary alcohol
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • 1,2-diol