| PDB CCD ID: | SFG |
| Number of entries in FURNA: | 1 |
| Chemical formula: | C15 H23 N7 O5 |
| InChI: | InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1 |
| InChIKey: | LMXOHSDXUQEUSF-YECHIGJVSA-N |
| SMILES: | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O)N; N[CH](CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23; N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; O=C(O)C(N)CCC(N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O |
| Name: | SINEFUNGIN; ADENOSYL-ORNITHINE |
| ChEMBL: | CHEMBL1214186 |
| DrugBank: | DB01910 |
| ZINC: | ZINC000004217451 |
Reference: