Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028858
PROPERTIES
| NPAID | NPA028858 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Lyngbyastatin 10 |
| FORMULA | C49H67BrN8O12 |
| MOLECULAR WEIGHT (Da) | 1040.0230 |
| ACCURATE MASS (Da) | 1038.4062 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | semiplena |
| InChIKey | QGIQHZHVLBXUBA-YSCVKCFFSA-N |
| InChI | InChI=1S/C49H67BrN8O12/c1-10-15-37(60)51-27(7)42(62)54-39(25(3)4)45(65)56-41-28(8)70-49(69)40(26(5)6)55-44(64)34(24-30-18-20-36(59)31(50)22-30)57(9)48(68)35(23-29-16-13-12-14-17-29)58-38(61)21-19-33(47(58)67)53-43(63)32(11-2)52-46(41)66/h11-14,16-18,20,22,25-28,33-35,38-41,59,61H,10,15,19,21,23-24H2,1-9H3,(H,51,60)(H,52,66)(H,53,63)(H,54,62)(H,55,64)(H,56,65)/t27-,28-,33-,34-,35-,38+,39-,40-,41-/m1/s1 |
| SMILES | CC=C1NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)CCC)C(C)C)[C@@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC2=CC(Br)=C(O)C=C2)N(C)C(=O)[C@@H](CC2=CC=CC=C2)N2C(=O)[C@@H](CC[C@@H]2O)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kwan JC; Taori K; Paul VJ; Luesch H Lyngbyastatins 8-10, elastase inhibitors with cyclic depsipeptide scaffolds isolated from the marine cyanobacterium Lyngbya semiplena. Marine Drugs 2009 7 (4) 528-538. | ||
|---|---|---|---|
| DOI | 10.3390/md7040528 | PMID | 20098596 |
