Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022692
PROPERTIES
| NPAID | NPA022692 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Jizanpeptin E |
| FORMULA | C47H75BrN10O16S |
| MOLECULAR WEIGHT (Da) | 1148.1420 |
| ACCURATE MASS (Da) | 1146.4267 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Symploca |
| ORIGIN SPECIES | sp. |
| InChIKey | CWXCKTGLJSCRKB-PEWCITGHSA-N |
| InChI | InChI=1S/C47H75BrN10O16S/c1-11-24(5)36-46(67)74-26(7)37(56-42(63)35(23(3)4)54-41(62)33(72-10)22-73-75(68,69)70)43(64)52-29(14-13-19-51-47(49)50)39(60)53-30-16-18-34(59)58(44(30)65)38(25(6)12-2)45(66)57(8)31(40(61)55-36)21-27-15-17-32(71-9)28(48)20-27/h15,17,20,23-26,29-31,33-38,59H,11-14,16,18-19,21-22H2,1-10H3,(H,52,64)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H4,49,50,51)(H,68,69,70)/t24-,25+,26+,29-,30-,31-,33+,34+,35+,36-,37-,38-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC(=C(C=C3)OC)Br)C)[C@H](C)CC)O)CCCN=C(N)N)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](COS(=O)(=O)O)OC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gallegos, David A.; Saurí, Josep; Cohen, Ryan D.; Wan, Xuemei; Videau, Patrick; Vallota-Eastman, Alec O.; Shaala, Lamiaa A.; Youssef, Diaa T. A.; Williamson, R. Thomas; Martin, Gary E.; Philmus, Benjamin; Sikora, Aleksandra E.; Ishmael, Jane E.; McPhail, Kerry L. Jizanpeptins, Cyanobacterial Protease Inhibitors from a Symploca sp. Cyanobacterium Collected in the Red Sea Journal of Natural Products 2018 81 (6) 1417-1425. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.8b00117 | PMID | 29808677 |
