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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:06 UTC
Update Date2025-03-25 00:56:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217743
Frequency0.5
Structure
Chemical FormulaC9H16N2O6
Molecular Mass248.1008
SMILESCC(=O)NCC(NCCC(O)C(=O)O)C(=O)O
InChI KeyRBRCBOLVDWVTHA-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 acyclic compounds
Alternative Parents
  • acetamides
  • alpha amino acids
  • alpha hydroxy acids and derivatives
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • short-chain hydroxy acids and derivatives
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • amino acid
  • gamma amino acid or derivatives
  • alpha-hydroxy acid
  • monosaccharide
  • fatty acid
  • alpha-amino acid or derivatives
  • saccharide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydroxy fatty acid
  • acetamide
  • alcohol
  • secondary aliphatic amine
  • hydroxy acid
  • secondary amine
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine