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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:47 UTC
Update Date2025-03-25 00:55:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210009
Frequency0.5
Structure
Chemical FormulaC13H24N4O8
Molecular Mass364.1594
SMILESCC(OC1C(O)C(CO)OC(N)C1NC(=N)N(C)CC(=O)O)C(=O)O
InChI KeySCFYBVQUMQNLLC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • guanidines
  • hemiaminals
  • hydrocarbon derivatives
  • imines
  • monoalkylamines
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • guanidine
  • imine
  • monosaccharide
  • dialkyl ether
  • hemiaminal
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • carboximidamide
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound