2'-hydroxy-3'-glutathione conjugated diclofenac
- Other Name: 2'-Hydroxy-3'-glutathione conjugated diclofenac
- InChIKey: SJWSJRPRIKGPCS-UIQFTLACSA-N
- InChI: InChI=1S/C24H28Cl2N4O9S/c25-13-5-7-17(24(26,39)21(13)30-15-4-2-1-3-12(15)9-19(32)33)40-11-16(22(36)28-10-20(34)35)29-18(31)8-6-14(27)23(37)38/h1-5,7,14,16-17,30,39H,6,8-11,27H2,(H,28,36)(H,29,31)(H,32,33)(H,34,35)(H,37,38)/t14-,16-,17?,24?/m0/s1
- SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC(C2(O)Cl)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)Cl
- Exact Mass: 618.09541
- Molecular Formula: C24H28Cl2N4O9S
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Compound CID:
169502127
169502127
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.