Hmdb loader

Showing information for DMID02172560

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:26 UTC
Update Date2025-03-25 00:49:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172560
Frequency0.5
Structure
Chemical FormulaC35H46N4O11
Molecular Mass698.3163
SMILESCCC1=C(C)C(CC2=NC(=Cc3c(CCC(=O)O)c(CCC(=O)O)c(CC(=O)O)n3CCCCC(N)C(=O)O)C(CCC(=O)O)=C2C)NC1=O
InChI KeyBNXWAWPXNUMVPF-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 heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • lactams
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary carboxylic acid amides
  • substituted pyrroles
    • Substituents
  • ketimine
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • imine
  • alpha-amino acid or derivatives
  • substituted pyrrole
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxamide group
  • pentacarboxylic acid or derivatives
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound