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Compounds

COMPOUND NPA022690

STRUCTURE
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PROPERTIES
NPAID NPA022690
CLUSTER ID 26
NODE ID 25
NAME Jizanpeptin C
FORMULA C47H75BrN8O16S
MOLECULAR WEIGHT (Da) 1120.1280
ACCURATE MASS (Da) 1118.4205
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Symploca
ORIGIN SPECIES sp.
InChIKey FHDQVQWUFGNFOJ-DYLWGOGFSA-N
InChI InChI=1S/C47H75BrN8O16S/c1-11-25(5)37-47(65)72-27(7)38(54-43(61)36(24(3)4)52-42(60)34(70-10)23-71-73(66,67)68)44(62)50-30(15-13-14-20-49)40(58)51-31-17-19-35(57)56(45(31)63)39(26(6)12-2)46(64)55(8)32(41(59)53-37)22-28-16-18-33(69-9)29(48)21-28/h16,18,21,24-27,30-32,34-39,57H,11-15,17,19-20,22-23,49H2,1-10H3,(H,50,62)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,66,67,68)/t25-,26+,27+,30-,31-,32-,34+,35+,36-,37-,38-,39-/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(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
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Cyanobacteria LPSN 1117
Class Cyanophyceae LPSN -
Order Oscillatoriales LPSN 1150
Family Microcoleaceae LPSN 1892252
Genus Symploca LPSN 105591
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