Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:54:00 UTC
Update Date2025-03-21 18:53:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00190543
Frequency11.9
Structure
Chemical FormulaC4H6O4
Molecular Mass118.0266
SMILESO=C(O)C1OCCO1
InChI KeyNXUBLCILQTXVGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxolanes
Subclass 1,3-dioxolanes
Direct Parent 1,3-dioxolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • meta-dioxolane
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound