Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027606
PROPERTIES
| NPAID | NPA027606 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Loggerpeptin B |
| FORMULA | C57H83N9O15 |
| MOLECULAR WEIGHT (Da) | 1134.3390 |
| ACCURATE MASS (Da) | 1133.6009 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Leptolyngbya |
| ORIGIN SPECIES | sp. |
| InChIKey | WQBNRZSYFLXKOU-SAVASHKUSA-N |
| InChI | InChI=1S/C57H83N9O15/c1-12-17-43(68)58-32(7)49(71)63-48(34(9)80-56(78)33(8)59-44(69)18-13-2)53(75)64-47-35(10)81-57(79)46(31(5)6)62-51(73)41(28-37-21-23-38(67)24-22-37)65(11)55(77)42(29-36-19-15-14-16-20-36)66-45(70)26-25-39(54(66)76)60-50(72)40(27-30(3)4)61-52(47)74/h14-16,19-24,30-35,39-42,45-48,67,70H,12-13,17-18,25-29H2,1-11H3,(H,58,68)(H,59,69)(H,60,72)(H,61,74)(H,62,73)(H,63,71)(H,64,75)/t32-,33-,34+,35-,39-,40-,41-,42-,45+,46-,47-,48+/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)OC(=O)[C@H](C)NC(=O)CCC |
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 |
