m2
- Other Name: N-[4-[2-[[2-hydroxy-2-(1-oxidopyridin-1-ium-3-yl)ethyl]amino]ethyl]phenyl]-4-[5-[4-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]benzenesulfonamide
- InChIKey: YLISOGVYLXTXCH-UHFFFAOYSA-N
- InChI: InChI=1S/C32H29F3N4O4S/c33-32(34,35)26-9-5-23(6-10-26)29-15-16-30(37-29)24-7-13-28(14-8-24)44(42,43)38-27-11-3-22(4-12-27)17-18-36-20-31(40)25-2-1-19-39(41)21-25/h1-15,19,21,31,36,38,40H,16-18,20H2
- SMILES: C1C=C(N=C1C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)CCNCC(C4=C[N+](=CC=C4)[O-])O)C5=CC=C(C=C5)C(F)(F)F
- Exact Mass: 622.18616
- Molecular Formula: C32H29F3N4O4S
-
Compound CID:
154700114
154700114
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.