Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:11:37 UTC
Update Date2025-03-21 18:32:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00089837
Frequency31.4
Structure
Chemical FormulaC6H10O4
Molecular Mass146.0579
SMILESO=C(O)C1CC(O)CCO1
InChI KeyDEPUUQSGAIWFJE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • ether
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • carboxylic acid derivative
  • dialkyl ether
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organooxygen compound