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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:57 UTC
Update Date2025-03-21 18:38:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122253
Frequency21.2
Structure
Chemical FormulaC20H33N3O19P2
Molecular Mass681.1183
SMILESCC(=O)NC1C(O[PH](O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI KeyAEQZDPJOTHPOFU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl-alpha-hexosamine-1-phosphates
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pentose phosphates
  • primary alcohols
  • pyrimidine ribonucleoside monophosphates
  • pyrimidones
  • secondary alcohols
  • secondary carboxylic acid amides
  • sugar acids and derivatives
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • carbonyl group
  • ether
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • monosaccharide
  • pentose-5-phosphate
  • pyrimidone
  • carboxylic acid derivative
  • dialkyl ether
  • pyrimidine
  • n-acyl-alpha-hexosamine
  • muramic_acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • n-acyl-alpha-hexosamine-1-phosphate
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • pyrimidine ribonucleoside monophosphate
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate