[3-[(1s)-1-amino-2-[(1s,3s,5s)-3-cyano-4-azabicyclo[3.1.0]hexan-4-yl]-2-oxo-ethyl]-1-adamantyl]hydrogen sulfate
- Other Name: 2-Azabicyclo(3.1.0)hexane-3-carbonitrile, 2-((2S)-2-amino-2-(3-(sulfooxy)tricyclo(3.3.1.13,7)dec-1-yl)acetyl)-, (1S,3S,5S)-
- InChIKey: BNWBSJYZDBLPKL-SGTAVMJGSA-N
- InChI: InChI=1S/C18H25N3O5S/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(6-10,9-17)26-27(23,24)25/h10-15H,1-7,9,20H2,(H,23,24,25)/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
- SMILES: C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)OS(=O)(=O)O)N
- Exact Mass: 395.15149
- Molecular Formula: C18H25N3O5S
-
Compound CID:
118753512
118753512
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.