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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:50:06 UTC
Update Date2025-03-21 18:02:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00038782
Frequency101.8
Structure
Chemical FormulaC7H11NO5
Molecular Mass189.0637
SMILESO=C(O)C(O)C(O)C1CCC(O)=N1
InChI KeyLQQGHBCVJXCGND-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha hydroxy acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary alcohols
  • Substituents
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • pyrroline
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound