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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:32 UTC
Update Date2025-03-25 00:51:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188843
Frequency0.5
Structure
Chemical FormulaC7H13N5O3
Molecular Mass215.1018
SMILESCC(O)C(O)C1CNn2c(n[nH]c2=O)N1
InChI KeyVXTDUCOVCAVMHV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2,4-triazines
  • 1,2-diols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • triazoles
  • Substituents
  • alcohol
  • triazole
  • carbonic acid derivative
  • 1,2,4-triazole
  • azacycle
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • organopnictogen compound
  • triazine
  • hydrocarbon derivative
  • 1,2,4-triazine
  • organoheterocyclic compound
  • organooxygen compound
  • azole
  • 1,2-diol