Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028857
PROPERTIES
| NPAID | NPA028857 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Lyngbyastatin 9 |
| FORMULA | C49H68N8O12 |
| MOLECULAR WEIGHT (Da) | 961.1270 |
| ACCURATE MASS (Da) | 960.4957 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | semiplena |
| InChIKey | KROYJVUBAIMQLZ-IQKOZBLYSA-N |
| InChI | InChI=1S/C49H68N8O12/c1-10-15-37(59)50-28(7)42(61)53-39(26(3)4)45(64)55-41-29(8)69-49(68)40(27(5)6)54-44(63)35(24-31-18-20-32(58)21-19-31)56(9)48(67)36(25-30-16-13-12-14-17-30)57-38(60)23-22-34(47(57)66)52-43(62)33(11-2)51-46(41)65/h11-14,16-21,26-29,34-36,38-41,58,60H,10,15,22-25H2,1-9H3,(H,50,59)(H,51,65)(H,52,62)(H,53,61)(H,54,63)(H,55,64)/t28-,29-,34-,35-,36-,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=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 |
