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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:38 UTC
Update Date2025-03-25 01:01:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248533
Frequency0.5
Structure
Chemical FormulaC4H7N3O4
Molecular Mass161.0437
SMILESN=C(O)N(CCC(=O)O)N=O
InChI KeyFADNSVDEAHIDRF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic carbonic acids and derivatives
Subclass ureas
Direct Parent nitrosoureas
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • nitrosamides
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • semicarbazides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic nitroso compound
  • carboxylic acid
  • nitrosamide
  • carboxylic acid derivative
  • nitrosourea
  • organic n-nitroso compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • semicarbazide
  • organooxygen compound