Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:21 UTC
Update Date2025-03-25 00:51:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188445
Frequency0.5
Structure
Chemical FormulaC8H18N2O3
Molecular Mass190.1317
SMILESCC(O)C(=O)NC(O)C(N)C(C)C
InChI KeyQENOEQVBNVXNGS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent secondary carboxylic acid amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkanolamines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • alkanolamine