cis-1,2-diol-2-hydroibuprofen-coa
- Other Name: cis-1,2-Diol-2-hydroibuprofen-CoA
- InChIKey: CWNIKDGPZAQEIZ-AKLWCKBLSA-J
- InChI: InChI=1S/C34H54N7O19P3S/c1-18(2)13-34(48)8-6-20(12-22(34)42)19(3)32(47)64-11-10-36-23(43)7-9-37-30(46)27(45)33(4,5)15-57-63(54,55)60-62(52,53)56-14-21-26(59-61(49,50)51)25(44)31(58-21)41-17-40-24-28(35)38-16-39-29(24)41/h6,8,12,16-19,21-22,25-27,31,42,44-45,48H,7,9-11,13-15H2,1-5H3,(H,36,43)(H,37,46)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/p-4/t19?,21-,22?,25-,26-,27+,31-,34?/m1/s1
- SMILES: CC(C)CC1(C=CC(=CC1O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)([O-])[O-])O)O
- Exact Mass: 985.20950
- Molecular Formula: C34H50N7O19P3S-4
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Compound CID:
53464137
53464137
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.