dabigatran metabolite m602
- Other Name: Dabigatran metabolite M602
- InChIKey: SFOBGRQDBYEQMB-UHFFFAOYSA-N
- InChI: InChI=1S/C30H31N7O7/c1-36-23-12-9-20(29(42)37(15-13-27(40)41)24-5-2-3-14-32-24)17-22(23)34-25(36)18-33-21-10-7-19(8-11-21)28(31)35-30(43)44-16-4-6-26(38)39/h2-3,5,7-12,14,17,33H,4,6,13,15-16,18H2,1H3,(H,38,39)(H,40,41)(H2,31,35,43)
- SMILES: CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)NC(=O)OCCCC(=O)O
- Exact Mass: 601.22850
- Molecular Formula: C30H31N7O7
-
Compound CID:
169502123
169502123
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.