Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:15 UTC
Update Date2025-03-21 18:39:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125220
Frequency20.5
Structure
Chemical FormulaC7H12N2O4
Molecular Mass188.0797
SMILESCC(=O)NCCCC(=NO)C(=O)O
InChI KeyBNQVENYAUPJYOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent fatty acids and conjugates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • ketoximes
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • ketoxime
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound