| PDB CCD ID: | DSH |
| Number of entries in FURNA: | 2 |
| Chemical formula: | C13 H20 N6 O3 S |
| InChI: | InChI=1S/C13H20N6O3S/c14-2-1-3-23-4-7-9(20)10(21)13(22-7)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20-21H,1-4,14H2,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1 |
| InChIKey: | FUSRAALGPJJIRO-QYVSTXNMSA-N |
| SMILES: | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCCN)O)O)N; NCCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; NCCCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23; n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCCCN)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N |
| Name: | 5'-S-(3-aminopropyl)-5'-thioadenosine |
| ChEMBL: | CHEMBL538693 |
| ZINC: | ZINC000005163039 |
Reference: