Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:31:22 UTC
Update Date2025-03-24 20:21:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01422540
Frequency0.9
Structure
Chemical FormulaC5H7NO3
Molecular Mass129.0426
SMILESNC1C=COC1C(=O)O
InChI KeyVBKCKIUAYBEIQG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dihydrofurans
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • beta amino acid or derivatives
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound
  • dihydrofuran