Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA031581
PROPERTIES
| NPAID | NPA031581 |
|---|---|
| CLUSTER ID | 9192 |
| NODE ID | 6171 |
| NAME | Bosamycin C |
| FORMULA | C51H67N9O20 |
| MOLECULAR WEIGHT (Da) | 1126.1400 |
| ACCURATE MASS (Da) | 1125.4502 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. 120454 |
| InChIKey | SNVWXEJGAFYERY-VSGXLYRTSA-N |
| InChI | InChI=1S/C51H67N9O20/c1-24(2)16-32(42(68)52-22-39(65)66)53-45(71)36(20-28-10-15-31(64)21-38(28)80-5)56-47(73)37(23-61)57-48(74)40(41(67)49(75)76)59-46(72)33(17-25(3)4)54-43(69)34(18-26-6-11-29(62)12-7-26)55-44(70)35(58-50(77)60-51(78)79)19-27-8-13-30(63)14-9-27/h6-15,21,24-25,32-37,40-41,61-64,67H,16-20,22-23H2,1-5H3,(H,52,68)(H,53,71)(H,54,69)(H,55,70)(H,56,73)(H,57,74)(H,59,72)(H,65,66)(H,75,76)(H,78,79)(H2,58,60,77)/t32-,33-,34+,35-,36+,37-,40-,41+/m0/s1 |
| SMILES | COC1=C(C[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)NC(=O)O)[C@@H](O)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)C=CC(O)=C1 |
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 |
