desmethyl-bmpn-benzoic acid
- Other Name: (2S,3S,4S,5R)-6-[3-(1-cyanoethyl)-5-(2-cyanopropan-2-yl)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: YTOXSWLGTVZLAU-SJNFCFLSSA-N
- InChI: InChI=1S/C20H22N2O8/c1-9(7-21)10-4-11(6-12(5-10)20(2,3)8-22)18(28)30-19-15(25)13(23)14(24)16(29-19)17(26)27/h4-6,9,13-16,19,23-25H,1-3H3,(H,26,27)/t9?,13-,14-,15+,16-,19?/m0/s1
- SMILES: CC(C#N)C1=CC(=CC(=C1)C(C)(C)C#N)C(=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
- Exact Mass: 418.13762
- Molecular Formula: C20H22N2O8
-
Compound CID:
118753532
118753532
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.