Hmdb loader
Record Information
HMDB Statusquantified
Creation Date2024-02-20 23:35:14 UTC
Update Date2025-03-21 17:56:54 UTC
HMDB IDHMDB0013311
Metabolite Identification
DeepMet IDDMID00004384
Nametrans-2-Hexenedioic acid
Frequency1284.3
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESO=C(O)C=CCCC(=O)O
InChI KeyHSBSUGYTMJWPAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent medium-chain fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • unsaturated fatty acids
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • unsaturated fatty acid
  • organic oxide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organooxygen compound