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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:34:03 UTC
Update Date2025-03-24 22:16:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01139339
Frequency1.2
Structure
Chemical FormulaC5H11NO3
Molecular Mass133.0739
SMILESCCC(C)(O)C[N+](=O)[O-]
InChI KeyBFXVQEIWGOVPRX-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