Hmdb loader
Record Information
HMDB Statusquantified
Creation Date2024-02-20 23:33:30 UTC
Update Date2025-03-21 17:56:07 UTC
HMDB IDHMDB0001000
Metabolite Identification
DeepMet IDDMID00000261
NamedUDP
Frequency16761.4
Structure
Chemical FormulaC9H14N2O11P2
Molecular Mass388.0073
SMILESO=c1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1
InChI KeyQHWZTVCCBMIIKE-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
  • lactams
  • monoalkyl phosphates
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organic pyrophosphates
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
  • Substituents
  • lactam
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • pyrimidone
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • organic pyrophosphate
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate