r,r-hydroxybupropion-glucuronide
- Other Name: R,R-Hydroxybupropion-glucuronide
- InChIKey: JNZCHRGIKZTWNU-GOCOBDJRSA-N
- InChI: InChI=1S/C19H26ClNO8/c1-9-19(27-8-18(2,3)21-9,10-5-4-6-11(20)7-10)29-17-14(24)12(22)13(23)15(28-17)16(25)26/h4-7,9,12-15,17,21-24H,8H2,1-3H3,(H,25,26)/t9-,12+,13+,14-,15+,17?,19-/m1/s1
- SMILES: C[C@@H]1[C@](OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
- Exact Mass: 431.13469
- Molecular Formula: C19H26ClNO8
-
Compound CID:
169501930
169501930
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.