Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577793 | Gold | 3 |
COMPOUND NPA018691
PROPERTIES
| NPAID | NPA018691 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Viscosinamide B |
| FORMULA | C53H94N10O15 |
| MOLECULAR WEIGHT (Da) | 1111.3900 |
| ACCURATE MASS (Da) | 1110.6900 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | fluorescens DR54 |
| InChIKey | QMZPYQGXHUSNRN-HNTOGDIQSA-N |
| InChI | InChI=1S/C53H94N10O15/c1-13-14-15-16-17-18-33(66)24-41(68)55-35(21-27(2)3)46(70)56-34(19-20-40(54)67)45(69)63-44-32(12)78-53(77)43(31(10)11)62-50(74)39(26-65)60-47(71)36(22-28(4)5)57-49(73)38(25-64)59-48(72)37(23-29(6)7)58-51(75)42(30(8)9)61-52(44)76/h27-39,42-44,64-66H,13-26H2,1-12H3,(H2,54,67)(H,55,68)(H,56,70)(H,57,73)(H,58,75)(H,59,72)(H,60,71)(H,61,76)(H,62,74)(H,63,69)/t32-,33-,34-,35+,36+,37+,38-,39-,42-,43+,44-/m1/s1 |
| SMILES | CCCCCCC[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C(C)C)CC(C)C)CO)CC(C)C)CO)C(C)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Geudens, Niels; De Vleeschouwer, Matthias; Fehr, Krisztina; Rokni-Zadeh, Hassan; Ghequire, Maarten G.K.; Madder, Annemieke; De Mot, Ren; Martins, Jos C.; Sinnaeve, Davy Impact of a stereocentre inversion in cyclic lipodepsipeptides from the viscosin group: A comparative study of the viscosinamide and pseudodesmin conformation and self-assembly ChemBioChem 2014 15 (18) 2736-2746. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.201402389 | PMID | 25382202 |
