Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024738
PROPERTIES
| NPAID | NPA024738 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Anikasin |
| FORMULA | C64H111N11O20 |
| MOLECULAR WEIGHT (Da) | 1354.6490 |
| ACCURATE MASS (Da) | 1353.8007 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | fluorescens HKI0770 |
| InChIKey | GHXLBZVIYYOQOC-PPTGIHGXSA-N |
| InChI | InChI=1S/C64H111N11O20/c1-15-17-18-19-20-21-39(78)27-49(79)65-40(22-32(3)4)54(84)69-45(28-50(80)81)59(89)75-53-38(14)95-64(94)46(29-51(82)83)71-62(92)52(37(13)16-2)74-58(88)44(26-36(11)12)68-61(91)48(31-77)73-57(87)42(24-34(7)8)67-60(90)47(30-76)72-56(86)41(23-33(5)6)66-55(85)43(25-35(9)10)70-63(53)93/h32-48,52-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,85)(H,67,90)(H,68,91)(H,69,84)(H,70,93)(H,71,92)(H,72,86)(H,73,87)(H,74,88)(H,75,89)(H,80,81)(H,82,83)/t37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48+,52-,53+/m0/s1 |
| SMILES | CCCCCCC[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)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](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CC(C)C)CC(C)C)CO)CC(C)C)CO)CC(C)C)[C@@H](C)CC)CC(=O)O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Götze S; Herbst-Irmer R; Klapper M; Görls H; Schneider KRA; Barnett R; Burks T; Neu U; Stallforth P Structure, Biosynthesis, and Biological Activity of the Cyclic Lipopeptide Anikasin. ACS Chemical Biology 2017 12 (10) 2498-2502. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.7b00589 | PMID | 28846366 |
