s,s-threo-hydrobupropion-glucuronide
- Other Name: S,S-threo-Hydrobupropion-glucuronide
- InChIKey: KFAATCBDXXZIMR-LETKRAMSSA-N
- InChI: InChI=1S/C22H34ClNO4/c1-12-13(2)18(20(25)26)27-21(14(12)3)28-19(15(4)24-22(5,6)7)16-9-8-10-17(23)11-16/h8-15,18-19,21,24H,1-7H3,(H,25,26)/t12-,13-,14+,15-,18-,19+,21?/m0/s1
- SMILES: C[C@H]1[C@@H]([C@H](OC([C@@H]1C)O[C@@H](C2=CC(=CC=C2)Cl)[C@H](C)NC(C)(C)C)C(=O)O)C
- Exact Mass: 411.21764
- Molecular Formula: C22H34ClNO4
-
Compound CID:
169501949
169501949
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.