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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:44 UTC
Update Date2025-03-25 00:51:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184678
Frequency0.5
Structure
Chemical FormulaC28H43N5O11
Molecular Mass625.2959
SMILESNC(CCc1cc(CCC(N)C(=O)O)c(CCC(N)C(=O)O)c(CCC(N)C(=O)O)c1CCCC(O)=NCC(=O)O)C(=O)O
InChI KeyRTPAMQGIAIJVTN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass pentacarboxylic acids and derivatives
Direct Parent pentacarboxylic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carboximidic acid
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • organic 1,3-dipolar compound
  • alpha-amino acid or derivatives
  • pentacarboxylic acid or derivatives
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound