Hmdb loader

Showing information for DMID00499415

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:05:55 UTC
Update Date2025-03-21 22:09:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00499415
Frequency3.4
Structure
Chemical FormulaC3H5NO4
Molecular Mass119.0219
SMILESCCC(=O)O[N+](=O)[O-]
InChI KeyYKPWBJLKHZNNBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic nitrates
Direct Parent acyl nitrates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid salts
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic nitric acids and derivatives
  • organic nitro compounds
  • organic nitrogen compounds
  • organic oxides
  • organic salts
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • acyl nitrate
  • organic nitric acid or derivatives
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • organic nitro compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic salt
  • carboxylic acid salt
  • organooxygen compound