Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033018
PROPERTIES
| NPAID | NPA033018 |
|---|---|
| CLUSTER ID | 1662 |
| NODE ID | 1358 |
| NAME | Metathramycin |
| FORMULA | C47H68O21 |
| MOLECULAR WEIGHT (Da) | 969.0400 |
| ACCURATE MASS (Da) | 968.4253 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | albus J1074::MMY (eDNA) |
| InChIKey | UGZFIQNLDRORAN-LZCAKTMZSA-N |
| InChI | InChI=1S/C47H68O21/c1-17-26(65-31-15-46(7,58)44(56)21(5)63-31)12-24-10-23-11-25(42(60-9)41(55)36(50)18(2)48)43(40(54)34(23)39(53)33(24)35(17)49)68-30-14-27(37(51)20(4)62-30)66-29-13-28(38(52)19(3)61-29)67-32-16-47(8,59)45(57)22(6)64-32/h10,12,18-22,25,27-32,36-38,42-45,48-53,56-59H,11,13-16H2,1-9H3/t18-,19-,20-,21-,22-,25?,27?,28-,29+,30+,31+,32+,36+,37-,38+,42+,43+,44-,45-,46+,47+/m1/s1 |
| SMILES | CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)C1CC2=C(C(=O)[C@H]1O[C@H]1CC(O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@H](O)[C@@H](C)O4)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O1)C(O)=C1C(O)=C(C)C(O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)=CC1=C2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Stevenson, Luke J.; Bracegirdle, Joe; Liu, Liwei; Sharrock, Abigail V.; Ackerley, David F.; Keyzers, Robert A.; Owen, Jeremy G. Metathramycin, a new bioactive aureolic acid discovered by heterologous expression of a metagenome derived biosynthetic pathway. RSC Chemical Biology 2021 2 (2) 556-567. | ||
|---|---|---|---|
| DOI | 10.1039/d0cb00228c | PMID | - |
