o-Desmethyl BIIB021
- InChIKey: UBBCAAXVXOVGLY-UHFFFAOYSA-N
- InChI: InChI=1S/C13H13ClN6O/c1-6-3-16-8(7(2)10(6)21)4-20-5-17-9-11(14)18-13(15)19-12(9)20/h3,5H,4H2,1-2H3,(H,16,21)(H2,15,18,19)
- SMILES: CC1=CNC(=C(C1=O)C)CN2C=NC3=C2N=C(N=C3Cl)N
- Exact Mass: 304.08394
- Molecular Formula: C13H13ClN6O
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Compound CID:
16736319
16736319
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.