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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:38 UTC
Update Date2025-03-25 00:46:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154989
Frequency0.5
Structure
Chemical FormulaC26H32N6O17P2
Molecular Mass762.1299
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)OP(=O)(O)O)c2cc1C
InChI KeyTZWVSOHRDYCUNU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classflavin nucleotides
Subclass flavin nucleotides
Direct Parent flavin nucleotides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • dialkyl phosphates
  • diazanaphthalenes
  • flavins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organic pyrophosphates
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • pyrazines
  • pyrimidine ribonucleoside diphosphates
  • pyrimidones
  • quinoxalines
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
  • Substituents
  • lactam
  • pentose phosphate
  • monosaccharide
  • pentose-5-phosphate
  • pyrimidone
  • pteridine
  • isoalloxazine
  • flavin
  • pyrimidine
  • saccharide
  • organic oxide
  • diazanaphthalene
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • alcohol
  • quinoxaline
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • flavin nucleotide
  • tetrahydrofuran
  • heteroaromatic compound
  • organic pyrophosphate
  • oxacycle
  • dialkyl phosphate
  • pyrimidine ribonucleoside diphosphate
  • organic oxygen compound
  • phosphoric acid ester
  • pyrazine
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound