Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033170
PROPERTIES
| NPAID | NPA033170 |
|---|---|
| CLUSTER ID | 3851 |
| NODE ID | 572 |
| NAME | Epemicin A |
| FORMULA | C76H132N2O32 |
| MOLECULAR WEIGHT (Da) | 1585.8740 |
| ACCURATE MASS (Da) | 1584.8763 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kutzneria |
| ORIGIN SPECIES | sp. CA-103260 |
| InChIKey | RKXSDRQPYKUZLX-DJUBSXHPSA-N |
| InChI | InChI=1S/C76H132N2O32/c1-14-42(59(87)36(7)51(15-2)104-57-30-75(13,78)70(96)41(12)100-57)19-22-44-21-17-34(5)58(86)37(8)52(105-73-67(95)65(93)63(91)54(31-79)107-73)28-49(83)35(6)48(82)25-45-26-50(84)71(97)76(98,110-45)29-53(33(4)16-20-43(80)24-47(81)32(3)18-23-55(85)103-44)106-74-69(109-72-66(94)64(92)61(89)39(10)101-72)68(62(90)40(11)102-74)108-56-27-46(77)60(88)38(9)99-56/h16-20,22-23,32-33,35-54,56-74,79-84,86-98H,14-15,21,24-31,77-78H2,1-13H3/t32-,33-,35-,36-,37-,38+,39+,40+,41-,42-,43+,44-,45+,46+,47+,48+,49+,50-,51-,52+,53+,54+,56-,57-,58+,59-,60+,61+,62+,63+,64-,65-,66+,67-,68-,69+,70+,71+,72-,73+,74-,75-,76-/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@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)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 |
