Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033171
PROPERTIES
| NPAID | NPA033171 |
|---|---|
| CLUSTER ID | 3851 |
| NODE ID | 572 |
| NAME | Epemicin B |
| FORMULA | C70H122N2O27 |
| MOLECULAR WEIGHT (Da) | 1423.7330 |
| ACCURATE MASS (Da) | 1422.8235 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kutzneria |
| ORIGIN SPECIES | sp. CA-103260 |
| InChIKey | VNZWETIARFTEAV-GZNXHPRQSA-N |
| InChI | InChI=1S/C70H122N2O27/c1-14-41(57(81)36(8)51(15-2)95-55-30-69(13,72)65(87)40(12)91-55)19-22-43-21-17-33(5)56(80)35(7)49(77)28-48(76)34(6)47(75)25-44-26-50(78)66(88)70(89,99-44)29-52(32(4)16-20-42(73)24-46(74)31(3)18-23-53(79)94-43)96-68-64(98-67-62(86)61(85)59(83)38(10)92-67)63(60(84)39(11)93-68)97-54-27-45(71)58(82)37(9)90-54/h16-20,22-23,31-32,34-52,54-68,73-78,80-89H,14-15,21,24-30,71-72H2,1-13H3/t31-,32-,34-,35-,36-,37+,38+,39+,40-,41-,42+,43-,44+,45+,46+,47+,48+,49+,50-,51-,52+,54-,55-,56+,57-,58+,59+,60+,61-,62+,63-,64+,65+,66+,67-,68-,69-,70-/m0/s1 |
| SMILES | CC[C@H](O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)[C@H](C)[C@H](O)[C@H](C=C[C@@H]1CC=C(C)[C@@H](O)[C@@H](C)[C@H](O)C[C@@H](O)[C@@H](C)[C@H](O)C[C@@H]2C[C@H](O)[C@@H](O)[C@](O)(C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O[C@H]4C[C@@H](N)[C@H](O)[C@@H](C)O4)[C@H]3O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)C=C[C@@H](O)C[C@@H](O)[C@@H](C)C=CC(=O)O1)O2)CC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kontou, Eftychia Eva; Gren, Tetiana; Ortiz-López, Francisco Javier; Thomsen, Emil; Oves-Costales, Daniel; Díaz, Caridad; De La Cruz, Mercedes; Jiang, Xinglin; Jørgensen, Tue Sparholt; Blin, Kai; Charusanti, Pep; Reyes, Fernando; Genilloud, Olga; Weber, Tilmann Discovery and Characterization of Epemicins A and B, New 30-Membered Macrolides from Kutzneria sp. CA-103260 ACS Chemical Biology 2021 16 (8) 1456-1468. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.1c00318 | PMID | 34279911 |
