bpa-c_ortho-c'_ortho-smx
- Other Name: BPA-Cortho-C'ortho-SMX
- InChIKey: DTJQREBNLDTCGK-UHFFFAOYSA-N
- InChI: InChI=1S/C25H25N3O5S/c1-15-12-24(27-33-15)28-34(31,32)19-9-10-22(26)20(14-19)21-13-17(6-11-23(21)30)25(2,3)16-4-7-18(29)8-5-16/h4-14,29-30H,26H2,1-3H3,(H,27,28)
- SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC(=C(C=C2)N)C3=C(C=CC(=C3)C(C)(C)C4=CC=C(C=C4)O)O
- Exact Mass: 479.15149
- Molecular Formula: C25H25N3O5S
-
Compound CID:
172643731
172643731
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.