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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:51 UTC
Update Date2025-03-21 18:34:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100139
Frequency46.6
Structure
Chemical FormulaC12H21NO9
Molecular Mass323.1216
SMILESCC(O)=NC1C(O)OC(C(O)CO)C(O)C1OC(C)C(=O)O
InChI KeyGHRBELBXFIRLCK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • sugar acids and derivatives
    • Substituents
  • carboximidic acid
  • carbonyl group
  • ether
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • n-acyl-alpha-hexosamine
  • propargyl-type 1,3-dipolar organic compound
  • muramic_acid
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • organic 1,3-dipolar compound
  • oxacycle
  • monocarboxylic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound