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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:27 UTC
Update Date2025-03-21 18:36:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111436
Frequency23.9
Structure
Chemical FormulaC12H21NO10
Molecular Mass339.1165
SMILESNC1C(=O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI KeyBLWYZRKTANMFOX-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
  • acetals
  • alpha amino acids
  • aminosaccharides
  • carbonyl compounds
  • carboxylic acid esters
  • delta valerolactones
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • carbonyl group
  • delta valerolactone
  • monosaccharide
  • lactone
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • oxane
  • primary alcohol
  • delta_valerolactone
  • organoheterocyclic compound
  • alcohol
  • amino saccharide
  • alpha-amino acid ester
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound