Main compound image
Sipoglitazar G2
  • InChIKey: UFGMLQSHMICSKE-LUOFYKQISA-N
  • InChI: InChI=1S/C31H33N3O10S/c1-2-41-28-20(10-13-23(35)43-27-25(37)24(36)26(30(38)39)44-31(27)40)15-34(33-28)14-18-8-11-22(12-9-18)42-16-21-17-45-29(32-21)19-6-4-3-5-7-19/h3-9,11-12,15,17,24-27,31,36-37,40H,2,10,13-14,16H2,1H3,(H,38,39)/t24-,25-,26-,27+,31-/m0/s1
  • SMILES: CCOC1=NN(C=C1CCC(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)C(=O)O)O)O)CC3=CC=C(C=C3)OCC4=CSC(=N4)C5=CC=CC=C5
  • Exact Mass: 639.18867
  • Molecular Formula: C31H33N3O10S
  • Compound CID: pubchemlite118753012 pubchem118753012
Hidden Reactions Filter Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products. These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph. To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.

You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
  • Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
  • Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
  • Carbon dioxide → Formylmethanofuran
  • Acrolein → Chembl3706542
  • Ethylene oxide → Acetyl-coa
  • Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.

Click on a node or edge to see details here.

Neighbours
All in View
Loading...