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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:55:41 UTC
Update Date2025-03-24 21:24:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01767462
Frequency0.7
Structure
Chemical FormulaC101H186N3O42P3
Molecular Mass2206.1724
SMILESCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OCC2OC(OC(=O)C(O)CO)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP(=O)(O)O)O2)CC(COC2(C(=O)O)CC(OC3(C(=O)O)CC(OP(=O)(O)OCCN)C(O)C(C(O)CO)O3)C(O)C(C(O)CO)O2)C1OP(=O)(O)O
InChI KeyNQSVFZWJUDUZFL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass hexacarboxylic acids and derivatives
Direct Parent hexacarboxylic acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • beta hydroxy acids and derivatives
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • cyclitols and derivatives
  • dialkyl ethers
  • dialkyl phosphates
  • fatty acid esters
  • hydrocarbon derivatives
  • ketals
  • monoalkyl phosphates
  • monoalkylamines
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phosphoethanolamines
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
  • sugar acids and derivatives
    • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • fatty amide
  • monosaccharide
  • pyran carboxylic acid
  • dialkyl ether
  • phosphoethanolamine
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • glyceric_acid
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • hexacarboxylic acid or derivatives
  • primary alcohol
  • organoheterocyclic compound
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • cyclitol or derivatives
  • hydroxy acid
  • carboxamide group
  • n-acyl-amine
  • oxacycle
  • secondary carboxylic acid amide
  • fatty acid ester
  • dialkyl phosphate
  • 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
  • meta-dioxane
  • alkyl phosphate
  • organooxygen compound