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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:15:57 UTC
Update Date2025-03-25 01:46:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02516319
Frequency0.5
Structure
Chemical FormulaC27H43N3O25P2
Molecular Mass871.1661
SMILESCC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyVNCQCEXHQWCOJZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • heteroaromatic compounds
  • hexose phosphates
  • hydrocarbon derivatives
  • ketals
  • lactams
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organic pyrophosphates
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pentose phosphates
  • primary alcohols
  • pyran carboxylic acids
  • pyrimidine ribonucleoside diphosphates
  • pyrimidones
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • lactam
  • carboxylic acid
  • monosaccharide
  • pentose-5-phosphate
  • pyran carboxylic acid
  • dialkyl ether
  • acetal
  • ketal
  • organonitrogen compound
  • oxane
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • organic pyrophosphate
  • secondary carboxylic acid amide
  • pyrimidine ribonucleoside diphosphate
  • monoalkyl phosphate
  • hydrocarbon derivative
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • organopnictogen compound
  • primary alcohol
  • carbonic acid derivative
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • carboxamide group
  • oxacycle
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • pyran
  • secondary alcohol
  • hexose phosphate
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate