Hmdb loader

Showing information for DMID02203752

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:06 UTC
Update Date2025-03-25 00:54:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203752
Frequency0.5
Structure
Chemical FormulaC11H18O4S
Molecular Mass246.0926
SMILESO=C(O)CCCCC1SCC2C(CO)OC12
InChI KeyCRPCBYBJRCRCQV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • dialkylthioethers
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxetanes
  • primary alcohols
  • thiolanes
    • Substituents
  • thiolane
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • heterocyclic fatty acid
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • organic oxide
  • medium-chain fatty acid
  • hydroxy fatty acid
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • dialkylthioether
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • oxetane
  • hydrocarbon derivative
  • organooxygen compound