Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012987
PROPERTIES
| NPAID | NPA012987 |
|---|---|
| CLUSTER ID | 4830 |
| NODE ID | 143 |
| NAME | Planosporicin |
| FORMULA | C90H125N27O28S5 |
| MOLECULAR WEIGHT (Da) | 2193.4860 |
| ACCURATE MASS (Da) | 2191.7791 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planomonospora |
| ORIGIN SPECIES | sp. |
| InChIKey | LEODRKCPDOGTPF-BGZBNVMXSA-N |
| InChI | InChI=1S/C90H125N27O28S5/c1-8-41(5)69(91)87(142)103-47(9-2)75(130)108-60-37-149-36-59-81(136)104-49(16-17-67(123)124)73(128)96-26-64(120)94-25-63(119)95-27-65(121)101-53-31-147-34-58-83(138)114-61(90(145)117-19-12-15-62(117)86(141)98-29-68(125)126)38-150-35-57(82(137)107-52(78(133)111-58)22-45-24-92-39-99-45)112-79(134)54(102-66(122)28-97-74(53)129)32-148-33-56(80(135)105-50-18-20-146-30-55(109-76(50)131)85(140)116-71(43(7)118)89(144)113-59)110-77(132)51(21-44-23-93-48-14-11-10-13-46(44)48)106-72(127)42(6)100-88(143)70(40(3)4)115-84(60)139/h9-11,13-14,23-24,39-41,43,49-62,69-71,93,118H,6,8,12,15-22,25-38,91H2,1-5,7H3,(H,92,99)(H,94,120)(H,95,119)(H,96,128)(H,97,129)(H,98,141)(H,100,143)(H,101,121)(H,102,122)(H,103,142)(H,104,136)(H,105,135)(H,106,127)(H,107,137)(H,108,130)(H,109,131)(H,110,132)(H,111,133)(H,112,134)(H,113,144)(H,114,138)(H,115,139)(H,116,140)(H,123,124)(H,125,126)/b47-9-/t41-,43+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-,71-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N/C(=C\C)/C(=O)N[C@H]1CSC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]3CSC[C@H]4C(=O)N[C@@H](CSC[C@@H](C(=O)N[C@H](C(=O)N4)CC5=CN=CN5)NC(=O)[C@H](CSC[C@@H](C(=O)N[C@H]6CCSC[C@@H](C(=O)N[C@H](C(=O)N2)[C@@H](C)O)NC6=O)NC(=O)[C@@H](NC(=O)C(=C)NC(=O)[C@@H](NC1=O)C(C)C)CC7=CNC8=CC=CC=C87)NC(=O)CNC3=O)C(=O)N9CCC[C@H]9C(=O)NCC(=O)O)CCC(=O)O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Castiglione, Franca; Cavaletti, Linda; Losi, Daniele; Lazzarini, Ameriga; Carrano, Lucia; Feroggio, Marina; Ciciliato, Ismaela; Corti, Emiliana; Candiani, Gianpaolo; Marinelli, Flavia; Selva, Enrico A Novel Lantibiotic Acting on Bacterial Cell Wall Synthesis Produced by the Uncommon Actinomycete Planomonospora sp Biochemistry 2007 46 (20) 5884-5895. | ||
|---|---|---|---|
| DOI | 10.1021/bi700131x | PMID | 17469849 |
