Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028680
PROPERTIES
| NPAID | NPA028680 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Cyanopeptolin 911 |
| FORMULA | C39H61N9O14S |
| MOLECULAR WEIGHT (Da) | 912.0330 |
| ACCURATE MASS (Da) | 911.4059 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. |
| InChIKey | VEXSXZZUUJNXII-UHFFFAOYSA-N |
| InChI | InChI=1S/C39H61N9O14S/c1-20(2)17-27-37(56)47(6)26(18-23-11-8-7-9-12-23)33(52)45-30(21(3)4)38(57)62-22(5)31(46-34(53)28(49)19-61-63(58,59)60)35(54)43-24(13-10-16-42-39(40)41)32(51)44-25-14-15-29(50)48(27)36(25)55/h7-9,11-12,20-22,24-31,49-50H,10,13-19H2,1-6H3,(H,43,54)(H,44,51)(H,45,52)(H,46,53)(H4,40,41,42)(H,58,59,60) |
| SMILES | CC(C)CC1C(=O)N(C)C(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)OC(C)C(NC(=O)C(O)COS(=O)(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC2CCC(O)N1C2=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Welker M; Marsálek B; Sejnohová L; von Döhren H Detection and identification of oligopeptides in Microcystis (cyanobacteria) colonies: toward an understanding of metabolic diversity. Peptides 2006 27 (9) 2090-2103. | ||
|---|---|---|---|
| DOI | 10.1016/j.peptides.2006.03.014 | PMID | 16678305 |
