Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:23:25 UTC
Update Date2025-03-24 22:03:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01974809
Frequency0.6
Structure
Chemical FormulaC3H5NO5
Molecular Mass135.0168
SMILESO=C(CO)CO[N+](=O)[O-]
InChI KeyJUQXYPRQKUNEGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkyl nitrates
  • alpha-hydroxy ketones
  • glycerone and derivatives
  • hydrocarbon derivatives
  • nitrate esters
  • organic nitro compounds
  • organic nitrogen compounds
  • organic oxides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • organic nitric acid or derivatives
  • organic nitrate
  • nitrate ester
  • allyl-type 1,3-dipolar organic compound
  • monosaccharide
  • organic 1,3-dipolar compound
  • alpha-hydroxy ketone
  • organic nitro compound
  • ketone
  • organic oxide
  • glycerone or derivatives
  • alkyl nitrate
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic hyponitrite