Hmdb loader

Showing information for DMID02170191

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:24 UTC
Update Date2025-03-25 00:48:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170191
Frequency0.5
Structure
Chemical FormulaC19H32O6
Molecular Mass356.2199
SMILESCCCCCCCCCCCCCC(=O)OC1CC(=O)C(C(=O)O)O1
InChI KeyUFMNGSITMXAQLQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • acetals
  • carboxylic acid esters
  • carboxylic acids
  • cyclic ketones
  • dicarboxylic acids and derivatives
  • furanones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • carboxylic acid
  • tetrahydrofuran
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • oxacycle
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • 3-furanone
  • organoheterocyclic compound
  • organooxygen compound