Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:17 UTC
Update Date2025-03-25 00:52:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02192737
Frequency0.5
Structure
Chemical FormulaC19H38NO3+
Molecular Mass328.2846
SMILESCCCCCCCCCCCC(=O)O[N+](=O)CCCCCCC
InChI KeyRREWCEAXYGEPCT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent carboxylic acid salts
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic nitro compounds
  • organic oxides
  • organic oxoazanium compounds
  • organic salts
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic nitro compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium
  • organic salt
  • carboxylic acid salt
  • organooxygen compound