Hmdb loader

Showing information for DMID00246704

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:18:16 UTC
Update Date2025-03-21 19:10:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00246704
Frequency8.5
Structure
Chemical FormulaC4H5NO3
Molecular Mass115.0269
SMILESCC(=O)C=C[N+](=O)[O-]
InChI KeyIXMOBUCQOUTKJM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • c-nitro compounds
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • alpha,beta-unsaturated ketone
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • organic oxoazanium
  • organic hyponitrite
  • enone