Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:45:08 UTC
Update Date2025-03-24 21:19:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01742679
Frequency0.7
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESC=C(OC)C(C)C(=O)O
InChI KeyJXEDTVNFWVUKDO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent branched fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • short-chain hydroxy acids and derivatives
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • carboxylic acid derivative
  • branched fatty acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound