Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005716845 | Gold | 3 |
COMPOUND NPA012987
PROPERTIES
| NPAID | NPA012987 |
|---|---|
| CLUSTER ID | 4813 |
| NODE ID | 141 |
| 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 | KGQGDWOXFVFCPE-NZTBGFMMSA-N |
| InChI | InChI=1S/C90H125N27O28S5/c1-9-40(5)68(91)86(140)104-47(10-2)75(129)108-57-34-148-35-58(110-76(130)50(20-44-22-93-48-15-12-11-14-46(44)48)106-72(126)41(6)100-87(141)69(39(3)4)114-82(57)136)83(137)116-71-43(8)150-37-59(103-66(123)28-98-85(139)61-16-13-19-117(61)89(71)143)84(138)115-70(42(7)118)88(142)112-56-33-147-30-53-78(132)111-54-32-149-36-60(90(144)145)113-81(135)55(109-77(131)51(107-80(54)134)21-45-23-92-38-99-45)31-146-29-52(74(128)97-27-65(122)102-53)101-64(121)26-95-62(119)24-94-63(120)25-96-73(127)49(105-79(56)133)17-18-67(124)125/h10-12,14-15,22-23,38-40,42-43,49-61,68-71,93,118H,6,9,13,16-21,24-37,91H2,1-5,7-8H3,(H,92,99)(H,94,120)(H,95,119)(H,96,127)(H,97,128)(H,98,139)(H,100,141)(H,101,121)(H,102,122)(H,103,123)(H,104,140)(H,105,133)(H,106,126)(H,107,134)(H,108,129)(H,109,131)(H,110,130)(H,111,132)(H,112,142)(H,113,135)(H,114,136)(H,115,138)(H,116,137)(H,124,125)(H,144,145)/b47-10-/t40-,42+,43?,49-,50-,51-,52-,53?,54-,55-,56-,57-,58-,59-,60-,61-,68-,69-,70-,71-/m0/s1 |
| SMILES | C=C1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)/C(=C/C)NC(=O)[C@@H](N)[C@@H](C)CC)CSC[C@@H](C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]3CSCC4NC(=O)CNC(=O)[C@H](CSC[C@@H]5NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CSC[C@@H](C(=O)O)NC5=O)NC4=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC3=O)[C@@H](C)O)CSC2C)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O |
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 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | 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 | 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 | ||
| 2 | C=C1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)/C(=C/C)NC(=O)[C@@H](N)[C@@H](C)CC)CSC[C@@H](C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]3CSCC4NC(=O)CNC(=O)[C@H](CSC[C@@H]5NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CSC[C@@H](C(=O)O)NC5=O)NC4=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC3=O)[C@@H](C)O)CSC2C)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O | Maffioli, Sonia I; Potenza, Donatella; Vasile, Francesca; De Matteo, Marilenia; Sosio, Margherita; Marsiglia, Barbara; Rizzo, Vincenzo; Scolastico, Carlo; Donadio, Stefano Structure revision of the lantibiotic 97518. Journal of Natural Products 2009 72 (4) 605-7. DOI: 10.1021/np800794y PMID: 19301921 | ||
