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Compounds

COMPOUND NPA004782

STRUCTURE

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PROPERTIES

NPAID	NPA004782
CLUSTER ID	26
NODE ID	25
NAME	Xentrivalpeptide J
FORMULA	C39H67N7O9
MOLECULAR WEIGHT (Da)	778.0050
ACCURATE MASS (Da)	777.5000
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Xenorhabdus
ORIGIN SPECIES	sp. 85816
InChIKey	JVEDJMVSQSKMIY-PVPSYGHLSA-N
InChI	InChI=1S/C39H67N7O9/c1-13-15-27(47)41-28(20(4)5)34(49)45-32-24(12)55-39(54)31(23(10)11)44-36(51)30(22(8)9)43-35(50)29(21(6)7)42-33(48)26-16-14-17-46(26)38(53)25(18-19(2)3)40-37(32)52/h19-26,28-32H,13-18H2,1-12H3,(H,40,52)(H,41,47)(H,42,48)(H,43,50)(H,44,51)(H,45,49)/t24-,25-,26+,28+,29+,30+,31+,32+/m1/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](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC1=O)CC(C)C)C(C)C)C(C)C)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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