Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033063
PROPERTIES
| NPAID | NPA033063 |
|---|---|
| CLUSTER ID | 9536 |
| NODE ID | 249 |
| NAME | Berninamycin K |
| FORMULA | C51H53N15O16S |
| MOLECULAR WEIGHT (Da) | 1164.1410 |
| ACCURATE MASS (Da) | 1163.3515 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | albus J1074 |
| InChIKey | ACSDUXDWMODDMW-QWICZQNUSA-N |
| InChI | InChI=1S/C51H53N15O16S/c1-13-31(68)49-65-34(26(10)82-49)45(77)57-21(5)41(73)66-36(51(11,12)79)46(78)59-23(7)48-64-33(25(9)81-48)44(76)56-20(4)40(72)58-22(6)47-61-29(16-80-47)35-27(50-62-30(17-83-50)43(75)63-32(24(8)67)38(53)70)14-15-28(60-35)42(74)55-19(3)39(71)54-18(2)37(52)69/h14-17,24,32,36,67,79H,2-7,13H2,1,8-12H3,(H2,52,69)(H2,53,70)(H,54,71)(H,55,74)(H,56,76)(H,57,77)(H,58,72)(H,59,78)(H,63,75)(H,66,73)/t24-,32+,36-/m1/s1 |
| SMILES | C=C(NC(=O)C(=C)NC(=O)C1=CC=C(C2=NC(C(=O)N[C@H](C(N)=O)[C@@H](C)O)=CS2)C(C2=COC(C(=C)NC(=O)C(=C)NC(=O)C3=C(C)OC(C(=C)NC(=O)[C@@H](NC(=O)C(=C)NC(=O)C4=C(C)OC(C(=O)CC)=N4)C(C)(C)O)=N3)=N2)=N1)C(N)=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | De, Bidhan Chandra; Zhang, Wenjun; Zhang, Guangtao; Liu, Zhiwen; Tan, Bin; Zhang, Qingbo; Zhang, Liping; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng Host-dependent heterologous expression of berninamycin gene cluster leads to linear thiopeptide antibiotics Organic & Biomolecular Chemistry 2021 19 (41) 8940-8946. | ||
|---|---|---|---|
| DOI | 10.1039/d1ob01759d | PMID | 34617948 |
