Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:59:34 UTC
Update Date2025-03-21 18:06:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00061156
Frequency56.4
Structure
Chemical FormulaC9H17N5O3
Molecular Mass243.1331
SMILESCN(C)C(=N)NC(=N)NCCCC(=O)C(=O)O
InChI KeyXJGMDSYYBCJRFA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent biguanides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • carboximidamides
  • carboxylic acids
  • hydrocarbon derivatives
  • imines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • short-chain keto acids and derivatives
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • imine
  • short-chain keto acid
  • carboximidamide
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • keto acid
  • alpha-keto acid
  • organopnictogen compound
  • hydrocarbon derivative
  • biguanide
  • organooxygen compound