Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:32 UTC
Update Date2025-03-25 00:47:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161385
Frequency0.5
Structure
Chemical FormulaC7H18N4O
Molecular Mass174.1481
SMILESNCCCNCCNC(=O)CN
InChI KeyVDGWVKPWMVZAOA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • alpha-amino acid amide
  • secondary amine
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine