labetalol-c1'-glucuronidated metabolite (vii)
- Other Name: Labetalol-C1'-glucuronidated metabolite (VII)
- InChIKey: LQOOOSFQSVHCBK-ZOYKYWDOSA-N
- InChI: InChI=1S/C25H32N2O10/c1-12(7-8-13-5-3-2-4-6-13)27-11-17(14-9-15(23(26)33)18(29)16(28)10-14)36-25-21(32)19(30)20(31)22(37-25)24(34)35/h2-6,9-10,12,17,19-22,25,27-32H,7-8,11H2,1H3,(H2,26,33)(H,34,35)/t12?,17?,19-,20-,21+,22-,25?/m0/s1
- SMILES: CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C(=C2)O)O)C(=O)N)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
- Exact Mass: 520.20570
- Molecular Formula: C25H32N2O10
-
Compound CID:
137553863
137553863
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.