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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:09 UTC
Update Date2025-03-25 00:51:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187976
Frequency0.5
Structure
Chemical FormulaC9H13N5O2
Molecular Mass223.1069
SMILESCC(=O)NCC1CNc2c(N)ncnc2O1
InChI KeyZRLALDQGRWBEOQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent alkyl aryl ethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • secondary alkylarylamines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • amino acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • acetamide
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • oxacycle
  • secondary carboxylic acid amide
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine