Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:33:26 UTC
Update Date2025-03-21 17:56:05 UTC
HMDB IDHMDB0001245
Metabolite Identification
DeepMet IDDMID00000111
NamedCDP
Frequency22895.5
Structure
Chemical FormulaC9H15N3O10P2
Molecular Mass387.0233
SMILESNc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)n1
InChI KeyFTDHDKPUHBLBTL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monoalkyl phosphates
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organic pyrophosphates
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • pyrimidone
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • organic pyrophosphate
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate