Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA031583
PROPERTIES
| NPAID | NPA031583 |
|---|---|
| CLUSTER ID | 9192 |
| NODE ID | 6171 |
| NAME | Bosamycin E |
| FORMULA | C52H69N9O20 |
| MOLECULAR WEIGHT (Da) | 1140.1670 |
| ACCURATE MASS (Da) | 1139.4659 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. 120454 |
| InChIKey | GHIFHRIFHRJZNG-WPFDVLOYSA-N |
| InChI | InChI=1S/C52H69N9O20/c1-25(2)17-33(43(68)53-23-40(66)81-6)54-46(71)37(21-29-11-16-32(65)22-39(29)80-5)57-48(73)38(24-62)58-49(74)41(42(67)50(75)76)60-47(72)34(18-26(3)4)55-44(69)35(19-27-7-12-30(63)13-8-27)56-45(70)36(59-51(77)61-52(78)79)20-28-9-14-31(64)15-10-28/h7-16,22,25-26,33-38,41-42,62-65,67H,17-21,23-24H2,1-6H3,(H,53,68)(H,54,71)(H,55,69)(H,56,70)(H,57,73)(H,58,74)(H,60,72)(H,75,76)(H,78,79)(H2,59,61,77)/t33-,34-,35+,36-,37+,38-,41-,42+/m0/s1 |
| SMILES | COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=C(OC)C=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)NC(=O)O)[C@@H](O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Xu, Zi Fei; Bo, Sheng Tao; Wang, Mei Jing; Shi, Jing; Jiao, Rui Hua; Sun, Yang; Xu, Qiang; Tan, Ren Xiang; Ge, Hui Ming Discovery and biosynthesis of bosamycins from Streptomyces sp. 120454. Chemical Science 2020 11 (34) 9237-9245. | ||
|---|---|---|---|
| DOI | 10.1039/d0sc03469j | PMID | 34094195 |
