dabigatran metabolite m630
- Other Name: Dabigatran metabolite M630
- InChIKey: OVEQQUQSRPFUCO-UHFFFAOYSA-N
- InChI: InChI=1S/C32H35N7O7/c1-38-25-14-11-22(31(44)39(17-15-29(42)43)26-7-4-5-16-34-26)19-24(25)36-27(38)20-35-23-12-9-21(10-13-23)30(33)37-32(45)46-18-6-2-3-8-28(40)41/h4-5,7,9-14,16,19,35H,2-3,6,8,15,17-18,20H2,1H3,(H,40,41)(H,42,43)(H2,33,37,45)
- 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)OCCCCCC(=O)O
- Exact Mass: 629.25980
- Molecular Formula: C32H35N7O7
-
Compound CID:
169502044
169502044
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.