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Compounds

COMPOUND NPA002751

STRUCTURE

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PROPERTIES

NPAID	NPA002751
CLUSTER ID	26
NODE ID	25
NAME	Xentrivalpeptide N
FORMULA	C47H67N7O9
MOLECULAR WEIGHT (Da)	874.0930
ACCURATE MASS (Da)	873.5000
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Xenorhabdus
ORIGIN SPECIES	sp. 85816
InChIKey	ZEHNAAMWUGMSJI-DKTBIUJPSA-N
InChI	InChI=1S/C47H67N7O9/c1-10-29(8)39-44(59)51-38(28(6)7)47(62)63-30(9)40(53-42(57)36(26(2)3)49-35(55)25-32-20-15-12-16-21-32)45(60)48-33(24-31-18-13-11-14-19-31)46(61)54-23-17-22-34(54)41(56)50-37(27(4)5)43(58)52-39/h11-16,18-21,26-30,33-34,36-40H,10,17,22-25H2,1-9H3,(H,48,60)(H,49,55)(H,50,56)(H,51,59)(H,52,58)(H,53,57)/t29?,30-,33-,34+,36+,37+,38+,39+,40+/m1/s1
SMILES	CCC(C)[C@H]1C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)C(C)C)CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)CC4=CC=CC=C4)C)C(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Zhou, Qiuqin; Dowling, Andrea; Heide, Heinrich; Wöhnert, Jens; Brandt, Ulrich; Baum, James; ffrench-Constant, Richard; Bode, Helge B. Xentrivalpeptides A-Q: Depsipeptide Diversification in Xenorhabdus Journal of Natural Products 2012 75 (10) 1717-1722.
DOI	10.1021/np300279g	PMID	23025386

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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