Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:56 UTC
Update Date2025-03-21 18:40:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131684
Frequency19.2
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC=C(CC(C)C)C(=O)O
InChI KeyPXAPVMSXZNKREI-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
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • unsaturated fatty acids
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • methyl-branched fatty acid
  • carboxylic acid derivative
  • unsaturated fatty acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound