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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:49 UTC
Update Date2025-03-25 00:46:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155431
Frequency0.5
Structure
Chemical FormulaC11H18N2O10P2
Molecular Mass400.0437
SMILESCc1ncc(CCOP(=O)(O)OP(=O)(O)O)c(CC(N)C(=O)O)c1O
InChI KeyLLCPURJIJRPJBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic pyrophosphates
Direct Parent organic pyrophosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monoalkyl phosphates
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • 2-halopyridine
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • organic pyrophosphate
  • monocarboxylic acid or derivatives
  • pyridine
  • phosphoric acid ester
  • monoalkyl phosphate
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound