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Compounds

COMPOUND NPA007769

STRUCTURE

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PROPERTIES

NPAID	NPA007769
CLUSTER ID	26
NODE ID	25
NAME	Kempopeptin B
FORMULA	C46H73BrN8O11
MOLECULAR WEIGHT (Da)	994.0390
ACCURATE MASS (Da)	992.4582
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Lyngbya
ORIGIN SPECIES	sp.
InChIKey	BESCRSMOIPNLKZ-PKCAXSCZSA-N
InChI	InChI=1S/C46H73BrN8O11/c1-11-15-34(56)51-36(24(3)4)42(60)53-38-27(8)66-46(64)37(25(5)6)52-41(59)32(23-28-17-19-33(65-10)29(47)22-28)54(9)45(63)39(26(7)12-2)55-35(57)20-18-31(44(55)62)50-40(58)30(49-43(38)61)16-13-14-21-48/h17,19,22,24-27,30-32,35-39,57H,11-16,18,20-21,23,48H2,1-10H3,(H,49,61)(H,50,58)(H,51,56)(H,52,59)(H,53,60)/t26-,27+,30-,31-,32-,35+,36-,37-,38-,39-/m0/s1
SMILES	CCCC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)[C@@H](C)CC)C)CC3=CC(=C(C=C3)OC)Br)C(C)C)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

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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