simetryn-glucoronide
- Other Name: Simetryn-glucoronide
- InChIKey: CXDGBFDUMWQPFX-UHFFFAOYSA-N
- InChI: InChI=1S/C13H19N5O6S/c1-3-14-11-16-12(15-4-2)18-13(17-11)25-7-5(8(20)21)6(19)9(22)24-10(7)23/h5,7,9,13,22H,3-4H2,1-2H3,(H,20,21)(H3,14,15,16,17,18)
- SMILES: CCN=C1NC(NC(=NCC)N1)SC2C(C(=O)C(OC2=O)O)C(=O)O
- Exact Mass: 373.10560
- Molecular Formula: C13H19N5O6S
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Compound CID:
177546076
177546076
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.