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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:28 UTC
Update Date2025-03-25 00:51:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186415
Frequency0.5
Structure
Chemical FormulaC10H20N2O8
Molecular Mass296.122
SMILESNC1C(O)CC(N)C(O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyDLGHWYVSRNOOBZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxepanes
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • hydroxy acid
  • beta amino acid or derivatives
  • oxepane
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound