Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:42 UTC
Update Date2025-03-25 00:48:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166380
Frequency0.5
Structure
Chemical FormulaC11H20O3
Molecular Mass200.1412
SMILESCC1CCC(C(C)CCC(=O)O)OC1
InChI KeyLXBSXUOGSWTXNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent heterocyclic fatty acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • short-chain hydroxy acids and derivatives
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • methyl-branched fatty acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • carboxylic acid derivative
  • branched fatty acid
  • dialkyl ether
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound
  • organooxygen compound