Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005723411 | Gold | 3 |
| CCMSLIB00005720215 | Gold | 3 |
| CCMSLIB00005720216 | Gold | 3 |
| CCMSLIB00005723414 | Gold | 3 |
| CCMSLIB00005723412 | Gold | 3 |
| CCMSLIB00005723413 | Gold | 3 |
COMPOUND NPA027607
PROPERTIES
| NPAID | NPA027607 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Loggerpeptin A |
| FORMULA | C50H72N8O13 |
| MOLECULAR WEIGHT (Da) | 993.1690 |
| ACCURATE MASS (Da) | 992.5219 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Leptolyngbya |
| ORIGIN SPECIES | sp. |
| InChIKey | UAVAEWGJORGZNS-VURJKFNOSA-N |
| InChI | InChI=1S/C50H72N8O13/c1-10-14-38(61)51-28(6)43(63)55-41(29(7)59)46(66)56-42-30(8)71-50(70)40(27(4)5)54-45(65)36(24-32-17-19-33(60)20-18-32)57(9)49(69)37(25-31-15-12-11-13-16-31)58-39(62)22-21-34(48(58)68)52-44(64)35(23-26(2)3)53-47(42)67/h11-13,15-20,26-30,34-37,39-42,59-60,62H,10,14,21-25H2,1-9H3,(H,51,61)(H,52,64)(H,53,67)(H,54,65)(H,55,63)(H,56,66)/t28-,29-,30+,34-,35-,36-,37-,39+,40-,41-,42-/m0/s1 |
| SMILES | CCCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](CC2=CC=CC=C2)C(=O)N(C)[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)[C@H](C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Al-Awadhi FH; Paul VJ; Luesch H Structural Diversity and Anticancer Activity of Marine-Derived Elastase Inhibitors: Key Features and Mechanisms Mediating the Antimetastatic Effects in Invasive Breast Cancer. ChemBioChem 2018 19 (8) 815-825. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.201700627 | PMID | 29405541 |
