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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:35 UTC
Update Date2025-03-25 00:49:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177576
Frequency0.5
Structure
Chemical FormulaC20H28N5O11P
Molecular Mass545.1523
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO[PH](O)(O)OCC(N)C(=O)O)c2cc1C
InChI KeyGXXADNOPKSHOSP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass alloxazines and isoalloxazines
Direct Parent flavins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrazines
  • pyrimidones
  • quinoxalines
  • secondary alcohols
  • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • pyrimidone
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • flavin
  • pyrimidine
  • organic oxide
  • diazanaphthalene
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • alcohol
  • quinoxaline
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrazine
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound