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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:12:46 UTC
Update Date2025-03-24 21:04:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01664581
Frequency0.7
Structure
Chemical FormulaC6H11NO3
Molecular Mass145.0739
SMILESCNCC1(O)COC(=O)C1
InChI KeyWJSHNDURLVVDCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • tertiary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • secondary aliphatic amine
  • carbonyl group
  • tetrahydrofuran
  • amino acid or derivatives
  • secondary amine
  • carboxylic acid derivative
  • gamma butyrolactone
  • oxacycle
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine