Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:18:46 UTC
Update Date2025-03-25 01:23:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02382468
Frequency0.5
Structure
Chemical FormulaC5H7NO3
Molecular Mass129.0426
SMILESCN1CC(C(=O)O)=CO1
InChI KeyKHMWIRNJQWSRCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass isoxazolines
Direct Parent isoxazolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-organohydroxylamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • isoxazoline
  • carboxylic acid derivative
  • n-organohydroxylamine
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound