bmpn-benzoic acid glucuronide conjugate
- Other Name: (2S,3S,4S,5R)-6-[3,5-bis(2-cyanopropan-2-yl)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: SENNRTZYHFPXIH-JKPQCYAASA-N
- InChI: InChI=1S/C21H24N2O8/c1-20(2,8-22)11-5-10(6-12(7-11)21(3,4)9-23)18(29)31-19-15(26)13(24)14(25)16(30-19)17(27)28/h5-7,13-16,19,24-26H,1-4H3,(H,27,28)/t13-,14-,15+,16-,19?/m0/s1
- SMILES: CC(C)(C#N)C1=CC(=CC(=C1)C(=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(C)(C)C#N
- Exact Mass: 432.15327
- Molecular Formula: C21H24N2O8
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Compound CID:
118753628
118753628
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.