Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033062
PROPERTIES
| NPAID | NPA033062 |
|---|---|
| CLUSTER ID | 9536 |
| NODE ID | 249 |
| NAME | Berninamycin J |
| FORMULA | C51H53N15O15S |
| MOLECULAR WEIGHT (Da) | 1148.1420 |
| ACCURATE MASS (Da) | 1147.3566 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | albus J1074 |
| InChIKey | GEHAXWAIADEMGU-OCVOMCNHSA-N |
| InChI | InChI=1S/C51H53N15O15S/c1-13-32(68)50-66-36(27(12)81-50)47(78)57-22(7)42(73)63-33(18(2)3)45(76)59-24(9)49-65-35(26(11)80-49)46(77)56-21(6)41(72)58-23(8)48-61-30(16-79-48)37-28(51-62-31(17-82-51)44(75)64-34(25(10)67)39(53)70)14-15-29(60-37)43(74)55-20(5)40(71)54-19(4)38(52)69/h14-18,25,33-34,67H,4-9,13H2,1-3,10-12H3,(H2,52,69)(H2,53,70)(H,54,71)(H,55,74)(H,56,77)(H,57,78)(H,58,72)(H,59,76)(H,63,73)(H,64,75)/t25-,33+,34+/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)=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 |
