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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:09:04 UTC
Update Date2025-03-25 01:19:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02359890
Frequency0.5
Structure
Chemical FormulaC81H142N7O25P
Molecular Mass1643.9793
SMILESCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC(COC2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)C1OP(=O)(O)O
InChI KeyZHBVFRIVEXQPOS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent acylaminosugars
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • amino acids
  • azacyclic compounds
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • fatty acid esters
  • heteroaromatic compounds
  • hexose phosphates
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • ketals
  • monoalkyl phosphates
  • monosaccharides
  • n-acyl amines
  • n-acyl-alpha-hexosamines
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • primary amines
  • purine nucleosides
  • purines and purine derivatives
  • pyran carboxylic acids
  • pyrimidines and pyrimidine derivatives
  • saccharolipids
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetracarboxylic acids and derivatives
  • tetrahydrofurans
    • Substituents
  • carboxylic acid
  • amino acid or derivatives
  • monosaccharide
  • imidazopyrimidine
  • pyran carboxylic acid
  • acetal
  • ketal
  • organonitrogen compound
  • oxane
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • alcohol
  • azacycle
  • purine nucleoside
  • heteroaromatic compound
  • secondary carboxylic acid amide
  • fatty acid ester
  • monoalkyl phosphate
  • carboxylic acid ester
  • hydrocarbon derivative
  • primary amine
  • amine
  • fatty acyl
  • carbonyl group
  • amino acid
  • fatty amide
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • primary alcohol
  • imidolactam
  • azole
  • n-substituted imidazole
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • tetracarboxylic acid or derivatives
  • carboxamide group
  • n-acyl-amine
  • acylaminosugar
  • oxacycle
  • phosphoric acid ester
  • pyran
  • hexose phosphate
  • secondary alcohol
  • purine
  • organic nitrogen compound
  • saccharolipid
  • organic phosphoric acid derivative
  • alkyl phosphate