(2s,3s,4s,5r,6s)-6-(4-carbamoyl-1-(8-(2-chlorophenyl)-9-(4-chlorophenyl)-9h-purin-6-yl)piperidin-4-ylaminooxy)-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic acid
- Other Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyamino]piperidine-4-carboxamide
- InChIKey: OEDQVLFKEBSKKN-PVLCVKBISA-N
- InChI: InChI=1S/C29H31Cl2N7O7/c30-15-5-7-16(8-6-15)38-24(17-3-1-2-4-18(17)31)35-20-25(33-14-34-26(20)38)37-11-9-29(10-12-37,28(32)43)36-45-27-23(42)22(41)21(40)19(13-39)44-27/h1-8,14,19,21-23,27,36,39-42H,9-13H2,(H2,32,43)/t19-,21-,22+,23-,27+/m1/s1
- SMILES: C1CN(CCC1(C(=O)N)NO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3=NC=NC4=C3N=C(N4C5=CC=C(C=C5)Cl)C6=CC=CC=C6Cl
- Exact Mass: 659.16620
- Molecular Formula: C29H31Cl2N7O7
-
Compound CID:
118753271
118753271
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.