Hmdb loader

Showing information for DMID02172545

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:25 UTC
Update Date2025-03-25 00:49:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172545
Frequency0.5
Structure
Chemical FormulaC23H29N3O5
Molecular Mass427.2107
SMILESCCC1=C(C)C(Cc2[nH]c(C=C3C=C(C(=O)O)NCC3)c(CCC(=O)O)c2C)NC1=O
InChI KeyHXRWOJHERUCMKR-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 aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
  • tetrahydropyridines
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • tetrahydropyridine
  • secondary amine
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine