Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022691
PROPERTIES
| NPAID | NPA022691 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Jizanpeptin D |
| FORMULA | C48H77BrN8O16S |
| MOLECULAR WEIGHT (Da) | 1134.1550 |
| ACCURATE MASS (Da) | 1132.4362 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Symploca |
| ORIGIN SPECIES | sp. |
| InChIKey | PKBSRAAKQRNSBG-WXUCUDSSSA-N |
| InChI | InChI=1S/C48H77BrN8O16S/c1-11-25(4)37(53-43(61)35(71-10)24-72-74(67,68)69)44(62)55-39-28(7)73-48(66)38(26(5)12-2)54-42(60)33(23-29-17-19-34(70-9)30(49)22-29)56(8)47(65)40(27(6)13-3)57-36(58)20-18-32(46(57)64)52-41(59)31(51-45(39)63)16-14-15-21-50/h17,19,22,25-28,31-33,35-40,58H,11-16,18,20-21,23-24,50H2,1-10H3,(H,51,63)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,67,68,69)/t25-,26-,27+,28+,31-,32-,33-,35+,36+,37-,38-,39-,40-/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)CCCCN)NC(=O)[C@H]([C@@H](C)CC)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 |
