Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:52 UTC
Update Date2025-03-25 00:46:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157717
Frequency0.5
Structure
Chemical FormulaC15H26O3
Molecular Mass254.1882
SMILESC=CC1(C)CCC(C(C)(C)OC(=O)C(C)CC)O1
InChI KeyIRRNLQOHZMKSNA-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
  • carbonyl compounds
  • carboxylic acid esters
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • carbonyl group
  • ether
  • tetrahydrofuran
  • carboxylic acid derivative
  • dialkyl ether
  • oxacycle
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound