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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:39 UTC
Update Date2025-03-25 00:46:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02152648
Frequency0.5
Structure
Chemical FormulaC12H23N5O5
Molecular Mass317.1699
SMILESNC(=NCCCC(=NO)C(=O)O)NCCCCC(N)C(=O)O
InChI KeyFMLQSDPOHCZDBE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino fatty acids
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • guanidines
  • hydrocarbon derivatives
  • ketoximes
  • medium-chain fatty acids
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • guanidine
  • fatty acid
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • organic 1,3-dipolar compound
  • ketoxime
  • carboximidamide
  • amino fatty acid
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound