Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017719
PROPERTIES
| NPAID | NPA017719 |
|---|---|
| CLUSTER ID | 275 |
| NODE ID | 249 |
| NAME | Berninamycin B |
| FORMULA | C51H51N15O14S |
| MOLECULAR WEIGHT (Da) | 1130.1270 |
| ACCURATE MASS (Da) | 1129.3461 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | bernensis |
| InChIKey | VFTYJPKNFPTPRA-KFSKHFNISA-N |
| InChI | InChI=1S/C51H51N15O14S/c1-13-29-50-66-36(27(12)80-50)47(77)56-22(7)41(71)63-33(18(2)3)44(74)58-24(9)49-65-35(26(11)79-49)46(76)55-21(6)40(70)57-23(8)48-61-31(16-78-48)37-28(51-62-32(17-81-51)43(73)64-34(25(10)67)45(75)60-29)14-15-30(59-37)42(72)54-20(5)39(69)53-19(4)38(52)68/h13-18,25,33-34,67H,4-9H2,1-3,10-12H3,(H2,52,68)(H,53,69)(H,54,72)(H,55,76)(H,56,77)(H,57,70)(H,58,74)(H,60,75)(H,63,71)(H,64,73)/b29-13-/t25-,33+,34+/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 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lau; Rinehart Berninamycins B, C, and D, minor metabolites from Streptomyces bernensis Journal of Antibiotics 1994 47 (12) 1466-1472. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.47.1466 | PMID | 7844041 |
