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Compounds

COMPOUND NPA024767

STRUCTURE

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PROPERTIES

NPAID	NPA024767
CLUSTER ID	262
NODE ID	141
NAME	Jessenipeptin
FORMULA	C91H148N20O24
MOLECULAR WEIGHT (Da)	1906.3010
ACCURATE MASS (Da)	1905.0975
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Pseudomonas
ORIGIN SPECIES	sp. QS1027
InChIKey	RCRYELMDBHQIMX-JRGFPVMHSA-N
InChI	InChI=1S/C91H148N20O24/c1-21-25-26-27-31-35-58(114)42-67(115)99-60(24-4)90(133)111-39-32-36-66(111)84(127)109-71(49(13)22-2)88(131)108-69(47(9)10)86(129)96-51(15)74(117)93-50(14)73(116)94-54(18)77(120)107-70(48(11)12)87(130)105-64(43-112)82(125)95-55(19)78(121)106-68(46(7)8)85(128)97-53(17)76(119)102-62(40-45(5)6)81(124)100-59(23-3)79(122)110-72-56(20)135-91(134)63(41-57-33-29-28-30-34-57)103-83(126)65(44-113)104-80(123)61(37-38-92)101-75(118)52(16)98-89(72)132/h23-24,28-30,33-34,45-56,58,61-66,68-72,112-114H,21-22,25-27,31-32,35-44,92H2,1-20H3,(H,93,117)(H,94,116)(H,95,125)(H,96,129)(H,97,128)(H,98,132)(H,99,115)(H,100,124)(H,101,118)(H,102,119)(H,103,126)(H,104,123)(H,105,130)(H,106,121)(H,107,120)(H,108,131)(H,109,127)(H,110,122)/b59-23-,60-24-/t49-,50-,51-,52+,53-,54+,55-,56-,58-,61+,62-,63+,64-,65-,66-,68-,69-,70-,71-,72-/m1/s1
SMILES	O=C(/C(NC(C[C@H](O)CCCCCCC)=O)=C/C)N1CCC[C@@H]1C(N[C@H]([C@H](C)CC)C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N[C@H](C(C)C)C(N[C@H](CO)C(N[C@@H](C(N[C@H](C(C)C)C(N[C@@H](C(N[C@H](CC(C)C)C(N/C(C(N[C@@]([C@H](OC([C@@H]2CC3=CC=CC=C3)=O)C)([H])C(N[C@H](C(N[C@@H](CCN)C(N[C@H](CO)C(N2)=O)=O)=O)C)=O)=O)=C\C)=O)=O)C)=O)=O)C)=O)=O)=O)C)=O)C)=O)C)=O)C(C)C)=O)=O

ORIGINAL ISOLATION REFERENCE

CITATION	Arp J; Götze S; Mukherji R; Mattern DJ; García-Altares M; Klapper M; Brock DA; Brakhage AA; Strassmann JE; Queller DC; Bardl B; Willing K; Peschel G; Stallforth P Synergistic activity of cosecreted natural products from amoebae-associated bacteria. Proceedings of the National Academy of Sciences of the United States of America 2018 115 (15) 3758-3763.
DOI	10.1073/pnas.1721790115	PMID	29592954

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Pseudomonadales	LPSN	72274
Family	Pseudomonadaceae	LPSN	135621
Genus	Pseudomonas	LPSN	286

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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