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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:35 UTC
Update Date2025-03-25 01:01:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250756
Frequency0.5
Structure
Chemical FormulaC12H20N2O9
Molecular Mass336.1169
SMILESO=C(O)CCC(NC=NC1C(O)OC(CO)C(O)C1O)C(=O)O
InChI KeyKNKYXOKCRGWSDI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsaccharolipids
Subclass saccharolipids
Direct Parent saccharolipids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • formamidines
  • glutamic acid and derivatives
  • hemiacetals
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • monosaccharide
  • fatty acid
  • alpha-amino acid or derivatives
  • amidine
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hemiacetal
  • hydroxy fatty acid
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • organic 1,3-dipolar compound
  • glutamic acid or derivatives
  • carboximidamide
  • formamidine
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • saccharolipid
  • organooxygen compound