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Compounds

COMPOUND NPA000584

STRUCTURE

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PROPERTIES

NPAID	NPA000584
CLUSTER ID	26
NODE ID	25
NAME	Xentrivalpeptide O
FORMULA	C45H63N7O9
MOLECULAR WEIGHT (Da)	846.0390
ACCURATE MASS (Da)	845.4687
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Xenorhabdus
ORIGIN SPECIES	sp. 85816
InChIKey	YFSBYLFQCDVKEG-JKZXPFHFSA-N
InChI	InChI=1S/C45H63N7O9/c1-9-31-39(54)50-37(27(6)7)45(60)61-28(8)38(51-42(57)35(25(2)3)48-34(53)24-30-19-14-11-15-20-30)43(58)47-32(23-29-17-12-10-13-18-29)44(59)52-22-16-21-33(52)40(55)49-36(26(4)5)41(56)46-31/h10-15,17-20,25-28,31-33,35-38H,9,16,21-24H2,1-8H3,(H,46,56)(H,47,58)(H,48,53)(H,49,55)(H,50,54)(H,51,57)/t28-,31+,32-,33+,35+,36+,37+,38+/m1/s1
SMILES	CC[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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