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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:44:12 UTC
Update Date2025-03-21 22:55:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00590424
Frequency2.8
Structure
Chemical FormulaC4H10NO3+
Molecular Mass120.0655
SMILESCC(C)(O)C[N+](=O)O
InChI KeyQADNMLXMIXOPMF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • c-nitro compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • tertiary alcohol
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organic hyponitrite