Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005885158 | Gold | 3 |
| CCMSLIB00000577587 | Gold | 3 |
COMPOUND NPA018059
PROPERTIES
| NPAID | NPA018059 |
|---|---|
| CLUSTER ID | 905 |
| NODE ID | 784 |
| NAME | Lyngbyastatin 3 |
| FORMULA | C52H84N8O12 |
| MOLECULAR WEIGHT (Da) | 1013.2880 |
| ACCURATE MASS (Da) | 1012.6209 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | majuscula |
| InChIKey | BNVLXJXRCARHAN-KJYYPGTOSA-N |
| InChI | InChI=1S/C52H84N8O12/c1-18-20-37-32(8)50(69)72-43(31(7)19-2)48(67)54-27-40(61)58(14)38(25-29(3)4)46(65)53-28-41(62)60(16)42(30(5)6)49(68)59(15)39(26-35-21-23-36(71-17)24-22-35)47(66)55-33(9)44(63)52(11,12)51(70)57(13)34(10)45(64)56-37/h21-24,29-34,37-39,42-43H,18-20,25-28H2,1-17H3,(H,53,65)(H,54,67)(H,55,66)(H,56,64)/t31-,32-,33?,34-,37+,38-,39-,42-,43-/m0/s1 |
| SMILES | CCC[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 | Williams, Philip G.; Moore, Richard E.; Paul, Valerie J. Isolation and Structure Determination of Lyngbyastatin 3, a Lyngbyastatin 1 Homologue from the Marine Cyanobacterium Lyngbya majuscula. Determination of the Configuration of the 4-Amino-2,2-dimethyl-3-oxopentanoic Acid Unit in Majusculamide C, Dolastatin 12, Lyngbyastatin 1, and Lyngbyastatin 3 from Cyanobacteria Journal of Natural Products 2003 66 (10) 1356-1363. | ||
|---|---|---|---|
| DOI | 10.1021/np0302145 | PMID | 14575437 |
