dabigatran metabolite m690
- Other Name: Dabigatran metabolite M690
- InChIKey: XRJBHAPIKOSXJS-FAPHDDPZSA-N
- InChI: InChI=1S/C32H35N9O9/c1-40-20-10-7-17(14-19(20)38-22(40)15-37-18-8-5-16(6-9-18)28(33)34)30(47)41(21-4-2-3-12-36-21)13-11-23(42)49-31-26(45)24(43)25(44)27(50-31)29(46)39-32(35)48/h2-10,12,14,24-27,31,37,43-45H,11,13,15H2,1H3,(H3,33,34)(H3,35,39,46,48)/t24-,25-,26+,27-,31?/m0/s1
- SMILES: CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)NC(=O)N)O)O)O)C4=CC=CC=N4)N=C1CNC5=CC=C(C=C5)C(=N)N
- Exact Mass: 689.25577
- Molecular Formula: C32H35N9O9
-
Compound CID:
169502227
169502227
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.