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Compounds

COMPOUND NPA008151

STRUCTURE
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PROPERTIES
NPAID NPA008151
CLUSTER ID 26
NODE ID 25
NAME Kempopeptin A
FORMULA C50H70N8O13
MOLECULAR WEIGHT (Da) 991.1530
ACCURATE MASS (Da) 990.5062
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Lyngbya
ORIGIN SPECIES sp.
InChIKey NGRWMTIDCSTQOO-XADDPKOHSA-N
InChI InChI=1S/C50H70N8O13/c1-26(2)23-35-43(63)51-34-20-21-39(62)58(48(34)68)38(25-31-13-10-9-11-14-31)49(69)56(8)37(24-32-16-18-33(61)19-17-32)45(65)53-40(27(3)4)50(70)71-29(6)42(47(67)52-35)55-46(66)41(28(5)59)54-44(64)36-15-12-22-57(36)30(7)60/h9-11,13-14,16-19,26-29,34-42,59,61-62H,12,15,20-25H2,1-8H3,(H,51,63)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t28-,29-,34+,35+,36+,37+,38+,39-,40+,41+,42+/m1/s1
SMILES C[C@@H]1[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)N[C@H](C(=O)O1)C(C)C)CC3=CC=C(C=C3)O)C)CC4=CC=CC=C4)O)CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]5CCCN5C(=O)C
ORIGINAL ISOLATION REFERENCE
CITATION Taori, Kanchan; Paul, Valerie J.; Luesch, Hendrik Kempopeptins A and B, serine protease inhibitors with different selectivity profiles from a marine cyanobacterium, Lyngbya sp Journal of Natural Products 2008 71 (9) 1625-1629.
DOI 10.1021/np8002172 PMID 18693761
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Cyanobacteria LPSN 1117
Class Cyanophyceae LPSN -
Order Oscillatoriales LPSN 1150
Family Oscillatoriaceae LPSN 1892254
Genus Lyngbya LPSN 28073
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