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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:01 UTC
Update Date2025-03-25 00:47:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164754
Frequency0.5
Structure
Chemical FormulaC11H17NO9
Molecular Mass307.0903
SMILESCC(=O)NC1C(OC(C)C(=O)O)COC(O)(C(=O)O)C1O
InChI KeyFXIGVMKGWLBOHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent gamma amino acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alpha hydroxy acids and derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • gamma amino acid or derivatives
  • alpha-hydroxy acid
  • monosaccharide
  • pyran carboxylic acid
  • dialkyl ether
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound