Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019216
PROPERTIES
| NPAID | NPA019216 |
|---|---|
| CLUSTER ID | 275 |
| NODE ID | 249 |
| NAME | Berninamycin D |
| FORMULA | C45H45N13O13S |
| MOLECULAR WEIGHT (Da) | 1008.0000 |
| ACCURATE MASS (Da) | 1007.2980 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | bernensis |
| InChIKey | ACYFBJUVNSGWDG-QGQKNWORSA-N |
| InChI | InChI=1S/C45H45N13O13S/c1-11-24-43-57-30(22(8)71-43)39(66)48-17(3)35(62)58-32(45(9,10)68)40(67)50-19(5)42-56-29(21(7)70-42)38(65)47-16(2)34(61)49-18(4)41-53-26(14-69-41)31-23(12-13-25(51-31)33(46)60)44-54-27(15-72-44)36(63)55-28(20(6)59)37(64)52-24/h11-15,20,28,32,59,68H,2-5H2,1,6-10H3,(H2,46,60)(H,47,65)(H,48,66)(H,49,61)(H,50,67)(H,52,64)(H,55,63)(H,58,62)/b24-11-/t20-,28+,32-/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)N)C6=NC(=CS6)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)C(C)(C)O |
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 |
