25-desacetylrifaximin
- Other Name: 25-Desacetylrifaximin
- InChIKey: DJPOZUDQVGFMDB-PTRAESDUSA-N
- InChI: InChI=1S/C41H49N3O10/c1-18-13-15-44-26(17-18)42-30-27-28-36(48)24(7)38-29(27)39(50)41(8,54-38)53-16-14-25(52-9)21(4)34(46)23(6)35(47)22(5)33(45)19(2)11-10-12-20(3)40(51)43-31(32(30)44)37(28)49/h10-17,19,21-23,25,33-35,45-49H,1-9H3,(H,43,51)/b11-10+,16-14+,20-12-/t19-,21+,22+,23-,25-,33-,34+,35+,41-/m0/s1
- SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)O)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C
- Exact Mass: 743.34179
- Molecular Formula: C41H49N3O10
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Compound CID:
71655389
71655389
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.
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.