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Compounds

COMPOUND NPA005549

STRUCTURE

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PROPERTIES

NPAID	NPA005549
CLUSTER ID	1005
NODE ID	867
NAME	PAX5
FORMULA	C52H99N13O9
MOLECULAR WEIGHT (Da)	1050.4460
ACCURATE MASS (Da)	1049.7689
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Xenorhabdus
ORIGIN SPECIES	nematophila HGB081
InChIKey	DZFFFNBFSIGFMU-FFAWSATFSA-N
InChI	InChI=1S/C52H99N13O9/c1-2-3-4-5-6-7-8-9-10-23-38(66)36-45(67)59-37-46(68)60-40(25-12-18-31-54)48(70)62-44-29-16-22-35-58-47(69)39(24-11-17-30-53)61-49(71)41(26-13-19-32-55)63-50(72)42(27-14-20-33-56)64-51(73)43(65-52(44)74)28-15-21-34-57/h7-8,38-44,66H,2-6,9-37,53-57H2,1H3,(H,58,69)(H,59,67)(H,60,68)(H,61,71)(H,62,70)(H,63,72)(H,64,73)(H,65,74)/b8-7-/t38-,39+,40+,41-,42-,43+,44-/m1/s1
SMILES	CCCCCC/C=C\CCC[C@H](CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCCCN)CCCCN)CCCCN)CCCCN)O

ORIGINAL ISOLATION REFERENCE

CITATION	Fuchs, Sebastian W; Proschak, Anna; Jaskolla, Thorsten W; Karas, Michael; Bode, Helge B Structure elucidation and biosynthesis of lysine-rich cyclic peptides in Xenorhabdus nematophila Organic & Biomolecular Chemistry 2011 9 (9) 3130-3132.
DOI	10.1039/c1ob05097d	PMID	21423922

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Enterobacterales	LPSN	91347
Family	Morganellaceae	LPSN	1903414
Genus	Xenorhabdus	LPSN	626

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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