labetalol-glucuronide metabolite (x)
- Other Name: Labetalol-glucuronide metabolite (X)
- InChIKey: NFCZCRKJEDJTHD-PTPXEQIWSA-N
- InChI: InChI=1S/C25H28N2O9/c1-12(7-8-13-5-3-2-4-6-13)27-10-9-14-11-15(18(28)16(17(14)27)23(26)32)35-25-21(31)19(29)20(30)22(36-25)24(33)34/h2-6,9-12,19-22,25,28-31H,7-8H2,1H3,(H2,26,32)(H,33,34)/t12?,19-,20-,21+,22-,25?/m0/s1
- SMILES: CC(CCC1=CC=CC=C1)N2C=CC3=CC(=C(C(=C32)C(=O)N)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
- Exact Mass: 500.17948
- Molecular Formula: C25H28N2O9
-
Compound CID:
137553867
137553867
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.