Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:07:40 UTC
Update Date2025-03-24 14:12:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00788962
Frequency1.9
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESC=CC(C)(CC)CC(=O)O
InChI KeyROTYJZOLJHGXTA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent methyl-branched fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • methyl-branched fatty acid
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound