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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:42:07 UTC
Update Date2025-03-25 01:09:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02297461
Frequency0.5
Structure
Chemical FormulaC40H66N3O33P
Molecular Mass1147.3316
SMILESCC(=O)NC1C(O)CC(OCC2C(O)C(O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)C(OC(=O)CCC(N)C(=O)O)C2OP(=O)(O)O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyZCCUEDCFXDJVGG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent glutamic acid and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alpha amino acids
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • cyclitols and derivatives
  • cyclohexanols
  • fatty acid esters
  • hydrocarbon derivatives
  • ketals
  • monoalkyl phosphates
  • monoalkylamines
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary carboxylic acid amides
  • tetracarboxylic acids and derivatives
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • pyran carboxylic acid
  • saccharide
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • cyclohexanol
  • cyclitol or derivatives
  • tetracarboxylic acid or derivatives
  • glutamic acid or derivatives
  • cyclic alcohol
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • fatty acid ester
  • organic oxygen compound
  • phosphoric acid ester
  • pyran
  • monoalkyl phosphate
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound