Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:58 UTC
Update Date2025-03-21 18:38:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122297
Frequency21.1
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCCOC(=O)C(C)C=O
InChI KeyVVCYNVCCODBCOE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent 1,3-dicarbonyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldehydes
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • aldehyde
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • carboxylic acid derivative