| PDB CCD ID: | 5S7 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H16 N6 O3 S |
| InChI: | InChI=1S/C11H16N6O3S/c1-21-2-4-6(18)7(19)10(20-4)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1 |
| InChIKey: | POSHIZZVLUQFIQ-KQYNXXCUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.4 | CSCC1C(C(C(O1)n2cnc3c2nc(nc3N)N)O)O | | CACTVS 3.385 | CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(N)nc23 | | OpenEye OEToolkits 2.0.4 | CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)N)O)O | | CACTVS 3.385 | CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(N)nc23 |
|
| Name: | (2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol;
2-amino-5'-deoxy-5'-(methylthio)adenosine |
| ZINC: | ZINC000584905297 |
umich.edu