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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:51:27 UTC
Update Date2025-03-24 21:22:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01757597
Frequency0.7
Structure
Chemical FormulaC113H210N2O31P2
Molecular Mass2153.4393
SMILESCCCCCCCCCCCCCC(=O)OC(=O)CC(=O)OC1C(OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OCC2OC(OP(=O)(O)O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C2O)OC(C(O)CO)C1OP(=O)(O)O
InChI KeyQOACHAXERFAGCN-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
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid anhydrides
  • carboxylic acid esters
  • carboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • n-acyl amines
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • oxepanes
  • primary alcohols
  • saccharolipids
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • carbonyl group
  • fatty amide
  • monosaccharide
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • hydroxy acid
  • carboxamide group
  • n-acyl-amine
  • acylaminosugar
  • oxepane
  • oxacycle
  • secondary carboxylic acid amide
  • fatty acid ester
  • phosphoric acid ester
  • monoalkyl phosphate
  • carboxylic acid ester
  • carboxylic acid anhydride
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • saccharolipid
  • organic phosphoric acid derivative
  • alkyl phosphate