Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007570
PROPERTIES
| NPAID | NPA007570 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Oscillapeptin J |
| FORMULA | C47H68N10O18S |
| MOLECULAR WEIGHT (Da) | 1093.1800 |
| ACCURATE MASS (Da) | 1092.4434 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planktothrix |
| ORIGIN SPECIES | rubescens |
| InChIKey | TYSLVBJOPFOBFU-KHIPEBSYSA-N |
| InChI | InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25-,30+,31+,32+,33+,34-,35-,36+,37+,38+/m1/s1 |
| SMILES | CC[C@@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=C(C=C3)O)C)[C@@H](C)O)O)CCCN=C(N)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@@H](COS(=O)(=O)O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Blom, Judith F.; Bister, Bojan; Bischoff, Daniel; Nicholson, Graeme; Jung, Guenther; Suessmuth, Roderich D.; Juettner, Friedrich Oscillapeptin J, a new grazer toxin of the freshwater cyanobacterium Planktothrix rubescens Journal of Natural Products 2003 66 (3) 431-434. | ||
|---|---|---|---|
| DOI | 10.1021/np020397f | PMID | 12662108 |
