Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001646 | Gold | 1 |
| CCMSLIB00005885164 | Gold | 3 |
| CCMSLIB00005885165 | Gold | 3 |
| CCMSLIB00000577492 | Gold | 3 |
COMPOUND NPA028666
PROPERTIES
| NPAID | NPA028666 |
|---|---|
| CLUSTER ID | 905 |
| NODE ID | 784 |
| NAME | Dolastatin 12 |
| FORMULA | C50H80N8O11 |
| MOLECULAR WEIGHT (Da) | 969.2350 |
| ACCURATE MASS (Da) | 968.5947 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | sp. |
| InChIKey | MLDFWFKDAWCBSV-GWOAOZMJSA-N |
| InChI | InChI=1S/C50H80N8O11/c1-17-30(7)41-46(65)52-26-38(59)56(14)36(24-28(3)4)44(63)51-27-39(60)58(16)40(29(5)6)47(66)57(15)37(25-34-22-20-19-21-23-34)45(64)53-32(9)42(61)50(11,12)49(68)55(13)33(10)43(62)54-35(18-2)31(8)48(67)69-41/h19-23,28-33,35-37,40-41H,17-18,24-27H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,62)/t30-,31-,32?,33+,35+,36+,37-,40-,41?/m0/s1 |
| SMILES | CC[C@H](C)C1OC(=O)[C@@H](C)[C@@H](CC)NC(=O)[C@@H](C)N(C)C(=O)C(C)(C)C(=O)C(C)NC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@@H](CC(C)C)N(C)C(=O)CNC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Harrigan GG; Yoshida WY; Moore RE; Nagle DG; Park PU; Biggs J; Paul VJ; Mooberry SL; Corbett TH; Valeriote FA Isolation, structure determination, and biological activity of dolastatin 12 and lyngbyastatin 1 from Lyngbya majuscula/Schizothrix calcicola cyanobacterial assemblages. Journal of Natural Products 1998 61 (10) 1221-1225. | ||
|---|---|---|---|
| DOI | 10.1021/np9801211 | PMID | 9784156 |
