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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:43 UTC
Update Date2025-03-25 00:46:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02152794
Frequency0.5
Structure
Chemical FormulaC10H22N4O4S
Molecular Mass294.1362
SMILESN=C(NCCCCS(=O)O)NCCCC(N)C(=O)O
InChI KeyLVSZAGBUBVGTDY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent arginine and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkanesulfinic acids and derivatives
  • alpha amino acids
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • fatty acids and conjugates
  • guanidines
  • hydrocarbon derivatives
  • imines
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfur compounds
  • sulfinic acids
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • guanidine
  • imine
  • sulfinic acid derivative
  • fatty acid
  • organosulfur compound
  • sulfinic acid
  • alkanesulfinic acid or derivatives
  • organic oxide
  • arginine or derivatives
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • carboximidamide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound