Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027282
PROPERTIES
| NPAID | NPA027282 |
|---|---|
| CLUSTER ID | 2703 |
| NODE ID | 2091 |
| NAME | Hassallidin E |
| FORMULA | C64H103N11O24 |
| MOLECULAR WEIGHT (Da) | 1410.5810 |
| ACCURATE MASS (Da) | 1409.7177 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planktothrix |
| ORIGIN SPECIES | serta PCC 8927 |
| InChIKey | OGTUEIHKAQMBTH-JOEVVLMGSA-N |
| InChI | InChI=1S/C64H103N11O24/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(80)51(84)62(95)73-48(33(4)78)59(92)74-49-34(5)97-63(96)40(26-28-45(66)82)70-61(94)50(35(6)98-64-54(87)53(86)52(85)43(31-76)99-64)75(7)46(83)30-67-55(88)39(25-27-44(65)81)69-56(89)38(9-2)68-57(90)41(29-36-21-23-37(79)24-22-36)71-58(91)47(32(3)77)72-60(49)93/h9,21-24,32-35,39-43,47-54,64,76-80,84-87H,8,10-20,25-31H2,1-7H3,(H2,65,81)(H2,66,82)(H,67,88)(H,68,90)(H,69,89)(H,70,94)(H,71,91)(H,72,93)(H,73,95)(H,74,92)/b38-9- |
| SMILES | C/C=C1\NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(O)C(O)CCCCCCCCCCCCC)C(C)O)C(C)OC(=O)C(CCC(N)=O)NC(=O)C(C(C)OC2OC(CO)C(O)C(O)C2O)N(C)C(=O)CNC(=O)C(CCC(N)=O)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pancrace C; Jokela J; Sassoon N; Ganneau C; Desnos-Ollivier M; Wahlsten M; Humisto A; Calteau A; Bay S; Fewer DP; Sivonen K; Gugger M Rearranged Biosynthetic Gene Cluster and Synthesis of Hassallidin E in Planktothrix serta PCC 8927. ACS Chemical Biology 2017 12 (7) 1796-1804. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.7b00093 | PMID | 28489343 |
