Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:47 UTC
Update Date2025-03-21 18:40:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128922
Frequency19.8
Structure
Chemical FormulaC7H14O4
Molecular Mass162.0892
SMILESCCOC(=O)C(CO)OCC
InChI KeyHIBPPWJUOBUPRW-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 acid esters
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • primary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • ether
  • hydroxy acid
  • carboxylic acid derivative
  • dialkyl ether
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • glyceric_acid
  • carboxylic acid ester
  • hydrocarbon derivative
  • primary alcohol