Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:16:37 UTC
Update Date2025-03-24 22:00:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01958667
Frequency0.6
Structure
Chemical FormulaC2H3FNO3+
Molecular Mass108.0091
SMILESO=C(O)C[N+](=O)F
InChI KeyVVEJHJWPBLDNBC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium
  • organooxygen compound