Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001733
PROPERTIES
| NPAID | NPA001733 |
|---|---|
| CLUSTER ID | 275 |
| NODE ID | 249 |
| NAME | Berninamycin A |
| FORMULA | C51H51N15O15S |
| MOLECULAR WEIGHT (Da) | 1146.1260 |
| ACCURATE MASS (Da) | 1145.3410 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | bernensis |
| InChIKey | CAFFHXXVDGAVPH-DKFXDEMXSA-N |
| InChI | InChI=1S/C51H51N15O15S/c1-13-28-49-65-34(26(10)81-49)45(76)56-21(5)40(71)66-36(51(11,12)78)46(77)58-23(7)48-64-33(25(9)80-48)44(75)55-20(4)39(70)57-22(6)47-61-30(16-79-47)35-27(50-62-31(17-82-50)42(73)63-32(24(8)67)43(74)60-28)14-15-29(59-35)41(72)54-19(3)38(69)53-18(2)37(52)68/h13-17,24,32,36,67,78H,2-7H2,1,8-12H3,(H2,52,68)(H,53,69)(H,54,72)(H,55,75)(H,56,76)(H,57,70)(H,58,77)(H,60,74)(H,63,73)(H,66,71)/b28-13-/t24-,32+,36-/m1/s1 |
| SMILES | C/C=C\1/C2=NC(=C(O2)C)C(=O)NC(=C)C(=O)N[C@H](C(=O)NC(=C)C3=NC(=C(O3)C)C(=O)NC(=C)C(=O)NC(=C)C4=NC(=CO4)C5=C(C=CC(=N5)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C6=NC(=CS6)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)C(C)(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liesch, Jerrold M; Rinehart Jr, Kenneth L Berninamycin. 3. Total structure of berninamycin A Journal of the American Chemical Society 1977 99 (5) 1645-1646. | ||
|---|---|---|---|
| DOI | 10.1021/ja00447a061 | PMID | 839013 |
