Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577796 | Gold | 3 |
COMPOUND NPA013881
PROPERTIES
| NPAID | NPA013881 |
|---|---|
| CLUSTER ID | 905 |
| NODE ID | 784 |
| NAME | Lyngbyastatin 1 |
| FORMULA | C51H82N8O12 |
| MOLECULAR WEIGHT (Da) | 999.2610 |
| ACCURATE MASS (Da) | 998.6052 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | majuscula |
| InChIKey | MKKWMLGEOYGWEO-ZGLRIMITSA-N |
| InChI | InChI=1S/C51H82N8O12/c1-18-30(7)42-47(66)53-26-39(60)57(14)37(24-28(3)4)45(64)52-27-40(61)59(16)41(29(5)6)48(67)58(15)38(25-34-20-22-35(70-17)23-21-34)46(65)54-32(9)43(62)51(11,12)50(69)56(13)33(10)44(63)55-36(19-2)31(8)49(68)71-42/h20-23,28-33,36-38,41-42H,18-19,24-27H2,1-17H3,(H,52,64)(H,53,66)(H,54,65)(H,55,63)/t30-,31-,32?,33-,36+,37-,38-,41-,42-/m0/s1 |
| SMILES | CC[C@@H]1[C@@H](C(=O)O[C@H](C(=O)NCC(=O)N([C@H](C(=O)NCC(=O)N([C@H](C(=O)N([C@H](C(=O)NC(C(=O)C(C(=O)N([C@H](C(=O)N1)C)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C)[C@@H](C)CC)C |
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 |
