Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:48:49 UTC
Update Date2025-03-21 18:01:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00035695
Frequency99.6
Structure
Chemical FormulaC9H15NO7
Molecular Mass249.0849
SMILESNC1C(O)C=C(C(=O)O)OC1C(O)C(O)CO
InChI KeyFCPYDHZOFFVRHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • primary alcohol
  • organoheterocyclic compound