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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:48:51 UTC
Update Date2025-03-25 00:28:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02035642
Frequency0.6
Structure
Chemical FormulaC45H83N2O36P3
Molecular Mass1320.3938
SMILESCCCCCCCCCCCC(O)CC(=O)NC1C(OP(=O)(O)O)OC(COC2OC(COC3(C(=O)O)CC(OC4(C(=O)O)CC(OP(=O)(O)OCCN)C(O)C(C(O)CO)O4)C(O)C(C(O)CO)O3)C(O)C(C(O)CO)O2)C(O)C1OP(=O)(O)O
InChI KeyUPWGSCPWOVJBNF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent acylaminosugars
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acid orthoesters
  • carboxylic acids
  • dialkyl phosphates
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketals
  • monoalkyl phosphates
  • monoalkylamines
  • monosaccharides
  • n-acyl amines
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • phosphoethanolamines
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • ortho ester
  • fatty amide
  • monosaccharide
  • carboxylic acid orthoester
  • carboxylic acid derivative
  • pyran carboxylic acid
  • n-acyl-alpha-hexosamine
  • phosphoethanolamine
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • orthocarboxylic acid derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • carboxamide group
  • n-acyl-amine
  • acylaminosugar
  • oxacycle
  • secondary carboxylic acid amide
  • dialkyl phosphate
  • phosphoric acid ester
  • pyran
  • monoalkyl phosphate
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • meta-dioxane
  • alkyl phosphate