Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:21 UTC
Update Date2025-03-21 18:31:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00086927
Frequency32.8
Structure
Chemical FormulaC17H30O5
Molecular Mass314.2093
SMILESCCCCCCCCCCCC=CC(=O)OC(CO)C(=O)O
InChI KeyCBUQMGXRQQHWFC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent sugar acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
  • primary alcohols
  • Substituents
  • enoate ester
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • hydroxy acid
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • beta-hydroxy acid
  • organic oxide
  • glyceric_acid
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary alcohol