dabigatran-3-o-acyl-glucuronide
- Other Name: Dabigatran-3-O-acyl-glucuronide
- InChIKey: JUYARHZELDTBAA-ZDDZHXLZSA-N
- InChI: InChI=1S/C31H33N7O9/c1-37-20-10-7-17(14-19(20)36-22(37)15-35-18-8-5-16(6-9-18)28(32)33)29(42)38(21-4-2-3-12-34-21)13-11-23(39)46-26-24(40)27(30(43)44)47-31(45)25(26)41/h2-10,12,14,24-27,31,35,40-41,45H,11,13,15H2,1H3,(H3,32,33)(H,43,44)/t24-,25+,26?,27-,31?/m0/s1
- SMILES: CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC3[C@@H]([C@H](OC([C@@H]3O)O)C(=O)O)O)C4=CC=CC=N4)N=C1CNC5=CC=C(C=C5)C(=N)N
- Exact Mass: 647.23398
- Molecular Formula: C31H33N7O9
-
Compound CID:
169501938
169501938
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.