Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:43:52 UTC
Update Date2025-03-21 17:59:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00023975
Frequency163.1
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCCCOC(=O)C(C)=O
InChI KeyILPVOWZUBFRIAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass alpha-keto acids and derivatives
Direct Parent alpha-keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboxylic acid esters
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • alpha-keto acid
  • hydrocarbon derivative
  • organooxygen compound