Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011505
PROPERTIES
| NPAID | NPA011505 |
|---|---|
| CLUSTER ID | 352 |
| NODE ID | 317 |
| NAME | Wewakpeptin D |
| FORMULA | C54H85N7O11 |
| MOLECULAR WEIGHT (Da) | 1008.3120 |
| ACCURATE MASS (Da) | 1007.6307 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | semiplena |
| InChIKey | UUCAGRLWNLHYHI-WMHQRPKNSA-N |
| InChI | InChI=1S/C54H85N7O11/c1-15-17-19-28-41-54(10,11)53(70)56-43(34(7)16-2)50(67)58(13)35(8)46(63)57(12)36(9)47(64)59(14)44(33(5)6)52(69)71-40(31-37-24-20-18-21-25-37)49(66)61-30-23-27-39(61)48(65)60-29-22-26-38(60)45(62)55-42(32(3)4)51(68)72-41/h18,20-21,24-25,32-36,38-44H,15-17,19,22-23,26-31H2,1-14H3,(H,55,62)(H,56,70)/t34-,35-,36-,38-,39-,40+,41+,42-,43-,44-/m0/s1 |
| SMILES | CCCCC[C@@H]1C(C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)O1)C(C)C)CC4=CC=CC=C4)C(C)C)C)C)C)C)C)[C@@H](C)CC)(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Han, Bingnan; Goeger, Doug; Maier, Claudia S; Gerwick, William H The wewakpeptins, cyclic depsipeptides from a Papua New Guinea collection of the marine cyanobacterium Lyngbya semiplena Journal of Organic Chemistry 2005 70 (8) 3133-3139. | ||
|---|---|---|---|
| DOI | 10.1021/jo0478858 | PMID | 15822975 |
