Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:42:52 UTC
Update Date2025-03-24 21:18:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01737139
Frequency0.7
Structure
Chemical FormulaC5H6O3
Molecular Mass114.0317
SMILESC=C1OC(C)OC1=O
InChI KeyPXPYWUIXDFXSEQ-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
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • enoate ester
  • meta-dioxolane
  • carbonyl group
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound