Hmdb loader
Record Information
HMDB Statuspredicted
Creation Date2024-02-21 05:20:34 UTC
Update Date2025-03-24 14:17:10 UTC
HMDB IDHMDB0128917
Metabolite Identification
DeepMet IDDMID00819960
Namedimethyloxirane-2-carboxylic acid
Frequency1.8
Structure
Chemical FormulaC5H8O3
Molecular Mass116.0473
SMILESCC1(C)OC1C(=O)O
InChI KeyXAFLWKZCTIXPPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classepoxides
Subclass oxirane carboxylic acids and derivatives
Direct Parent oxirane carboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • oxirane carboxylic acid
  • carboxylic acid derivative
  • dialkyl ether
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound