Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:52:01 UTC
Update Date2025-03-21 22:00:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00466400
Frequency3.7
Structure
Chemical FormulaC6H11NO3
Molecular Mass145.0739
SMILESCON=C(C(=O)O)C(C)C
InChI KeyYXTBWGQKJDONPL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass short-chain hydroxy acids and derivatives
Direct Parent short-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • methyl-branched fatty acid
  • short-chain hydroxy acid
  • fatty acid
  • carboxylic acid derivative
  • branched fatty acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound