Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:44:47 UTC
Update Date2025-03-24 14:33:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00877804
Frequency1.7
Structure
Chemical FormulaC42H39N5O18
Molecular Mass901.229
SMILESO=C(O)CCC1=C(CC(=O)O)C2=NC1=Cc1[nH]c(c(CC(=O)O)c1CCC(=O)O)C=C(C(=O)O)N=C1N=C(C=c3[nH]c(c(CC(=O)O)c3CCC(=O)O)=C2)C(CCC(=O)O)=C1CC(=O)O
InChI KeyYILDPQXTSNMBPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • organooxygen compound