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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:41:45 UTC
Update Date2025-03-21 18:48:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00161450
Frequency14.8
Structure
Chemical FormulaC5H9NO3
Molecular Mass131.0582
SMILESNC1CC(CO)OC1=O
InChI KeyFOICHKLRYYWTFG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid esters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • carbonyl group
  • alpha-amino acid ester
  • tetrahydrofuran
  • gamma butyrolactone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound