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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:26 UTC
Update Date2025-03-25 00:48:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165734
Frequency0.5
Structure
Chemical FormulaC13H21NO7
Molecular Mass303.1318
SMILESCC=CCCCC(O)=NC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyTUPJGGJCNXOSEZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • propargyl-type 1,3-dipolar organic compounds
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • carboximidic acid
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • n-glucuronide
  • propargyl-type 1,3-dipolar organic compound
  • beta-hydroxy acid
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • organic 1,3-dipolar compound
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound