Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004891
PROPERTIES
| NPAID | NPA004891 |
|---|---|
| CLUSTER ID | 797 |
| NODE ID | 691 |
| NAME | Grassypeptolide D |
| FORMULA | C57H81N9O10S2 |
| MOLECULAR WEIGHT (Da) | 1116.4620 |
| ACCURATE MASS (Da) | 1115.5548 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Leptolyngbya |
| ORIGIN SPECIES | sp. |
| InChIKey | FKVLMCJKLNRPEK-VLPKDPSOSA-N |
| InChI | InChI=1S/C57H81N9O10S2/c1-13-39-49-59-40(30-77-49)51(70)63(10)42(27-32(2)3)47(68)61-45(36(8)67)48(69)58-35(7)34(6)55(74)76-44(29-38-23-18-15-19-24-38)53(72)65(12)46(33(4)5)54(73)66-26-20-25-41(66)52(71)64(11)43(28-37-21-16-14-17-22-37)50-62-57(9,31-78-50)56(75)60-39/h14-19,21-24,32-36,39-46,67H,13,20,25-31H2,1-12H3,(H,58,69)(H,60,75)(H,61,68)/t34-,35-,36-,39-,40+,41+,42-,43+,44+,45-,46+,57-/m1/s1 |
| SMILES | CC[C@@H]1C2=N[C@@H](CS2)C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@H](C(=O)O[C@H](C(=O)N([C@H](C(=O)N3CCC[C@H]3C(=O)N([C@H](C4=N[C@](CS4)(C(=O)N1)C)CC5=CC=CC=C5)C)C(C)C)C)CC6=CC=CC=C6)C)C)[C@@H](C)O)CC(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Thornburg, Christopher C.; Thimmaiah, Muralidhara; Shaala, Lamiaa A.; Hau, Andrew M.; Malmo, Jay M.; Ishmael, Jane E.; Youssef, Diaa T. A.; McPhail, Kerry L. Cyclic depsipeptides, grassypeptolides D and e and Ibu- epidemethoxylyngbyastatin 3, from a Red Sea Leptolyngbya cyanobacterium Journal of Natural Products 2011 74 (8) 1677-1685. | ||
|---|---|---|---|
| DOI | 10.1021/np200270d | PMID | 21806012 |
