Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:26 UTC
Update Date2025-03-21 17:58:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00016348
Frequency273.0
Structure
Chemical FormulaC6H15N3O
Molecular Mass145.1215
SMILESNCCCCNC(=O)CN
InChI KeyJVQJNGHFZWCHHG-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
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alpha-amino acid amide
  • 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