lopinavir m2 metabolite
- Other Name: Lopinavir M2 metabolite
- InChIKey: HPKKKFWIOHKOLP-LEJDTGTFSA-N
- InChI: InChI=1S/C37H48N4O6/c1-24(2)34(41-33(44)18-19-38-37(41)46)36(45)39-29(20-27-14-7-5-8-15-27)22-31(42)30(21-28-16-9-6-10-17-28)40-32(43)23-47-35-25(3)12-11-13-26(35)4/h5-17,24,29-31,33-34,42,44H,18-23H2,1-4H3,(H,38,46)(H,39,45)(H,40,43)/t29-,30-,31-,33?,34-/m0/s1
- SMILES: CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4C(CCNC4=O)O)O
- Exact Mass: 644.35739
- Molecular Formula: C37H48N4O6
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Compound CID:
169501896
169501896
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.