Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:44:09 UTC
Update Date2025-03-21 18:00:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00024658
Frequency166.5
Structure
Chemical FormulaC11H19N3O6
Molecular Mass289.1274
SMILESCC(C)CC(NC(=N)NC(CC(=O)O)C(=O)O)C(=O)O
InChI KeyTWILVJKYZZWBOP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent leucine and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • aspartic acid and derivatives
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • guanidines
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organopnictogen compounds
  • tricarboxylic acids and derivatives
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • guanidine
  • imine
  • tricarboxylic acid or derivatives
  • carboximidamide
  • organic oxide
  • organic oxygen compound
  • leucine or derivatives
  • aspartic acid or derivatives
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound