2-amino-4-{[1-(carboxymethylcarbamoyl)-2-{[(2z)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-1-hydroxydec-2-en-3-yl]sulfanyl}ethyl]carbamoyl}butanoic acid
- Other Name: 2-amino-4-{[1-(carboxymethylcarbamoyl)-2-{[(2Z)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-1-hydroxydec-2-en-3-yl]sulfanyl}ethyl]carbamoyl}butanoic acid
- InChIKey: GDHKCTTYXGATBF-OQFOIZHKSA-N
- InChI: InChI=1S/C20H20F15N3O7S/c21-14(22,15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35)9(3-4-39)46-6-8(12(43)37-5-11(41)42)38-10(40)2-1-7(36)13(44)45/h3,7-8,39H,1-2,4-6,36H2,(H,37,43)(H,38,40)(H,41,42)(H,44,45)/b9-3-
- SMILES: C(CC(=O)NC(CS/C(=C\CO)/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)NCC(=O)O)C(C(=O)O)N
- Exact Mass: 731.07824
- Molecular Formula: C20H20F15N3O7S
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Compound CID:
165362593
165362593
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.