Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000072511 | Gold | 2!CCMSLIB00000072512 |
| CCMSLIB00000001648 | Gold | 1 |
| CCMSLIB00000001650 | Gold | 1 |
COMPOUND NPA002992
PROPERTIES
| NPAID | NPA002992 |
|---|---|
| CLUSTER ID | 352 |
| NODE ID | 317 |
| NAME | Dolastatin 16 |
| FORMULA | C47H70N6O10 |
| MOLECULAR WEIGHT (Da) | 879.1090 |
| ACCURATE MASS (Da) | 878.5153 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | majuscula |
| InChIKey | JXOFEBNJOOEXJY-NLKHYCKVSA-N |
| InChI | InChI=1S/C47H70N6O10/c1-26(2)36-30(8)46(60)62-31(9)42(56)53-24-16-21-35(53)47(61)63-39(28(5)6)45(59)50(10)38(27(3)4)44(58)52-23-15-20-34(52)41(55)49-37(29(7)25-32-17-12-11-13-18-32)43(57)51-22-14-19-33(51)40(54)48-36/h11-13,17-18,26-31,33-39H,14-16,19-25H2,1-10H3,(H,48,54)(H,49,55)/t29?,30?,31-,33-,34-,35-,36?,37?,38+,39+/m0/s1 |
| SMILES | C[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@@H](C(=O)N([C@@H](C(=O)N3CCC[C@H]3C(=O)NC(C(=O)N4CCC[C@H]4C(=O)NC(C(C(=O)O1)C)C(C)C)C(C)CC5=CC=CC=C5)C(C)C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Nogle, Lisa M.; Gerwick, William H. Isolation of Four New Cyclic Depsipeptides, Antanapeptins A-D, and Dolastatin 16 from a Madagascan Collection of Lyngbya majuscula Journal of Natural Products 2002 65 (1) 21-24. | ||
|---|---|---|---|
| DOI | 10.1021/np010348n | PMID | 11809058 |
SYNTHESES
| CITATION 1 | Pettit GR; Smith TH; Arce PM; Flahive EJ; Anderson CR; Chapuis JC; Xu JP; Groy TL; Belcher PE; Macdonald CB Antineoplastic agents. 599. Total synthesis of dolastatin 16. Journal of Natural Products 2015 78 (3) 476-85. DOI: 10.1021/np500925y PMID: 25689568 | ||
|---|---|---|---|
| CITATION 2 | Casalme LO; Yamauchi A; Sato A; Petitbois JG; Nogata Y; Yoshimura E; Okino T; Umezawa T; Matsuda F Total synthesis and biological activity of dolastatin 16. Organic & Biomolecular Chemistry 2017 15 (5) 1140-1150. DOI: 10.1039/c6ob02657e PMID: 28074955 | ||
