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Compounds

COMPOUND NPA020259

STRUCTURE

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PROPERTIES

NPAID	NPA020259
CLUSTER ID	6446
NODE ID	143
NAME	Xenoamicin A
FORMULA	C64H109N13O15
MOLECULAR WEIGHT (Da)	1300.6520
ACCURATE MASS (Da)	1299.8166
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Xenorhabdus
ORIGIN SPECIES	doucetiae DSM17909
InChIKey	JQWFRQJTZVLPIQ-HSIBCVILSA-N
InChI	InChI=1S/C64H109N13O15/c1-19-23-44(78)76-28-21-24-42(76)56(83)66-39(17)54(81)69-47(33(7)8)59(86)68-41(30-31(3)4)55(82)74-51(37(15)20-2)62(89)75-52-40(18)92-64(91)50(36(13)14)73-57(84)43-25-22-29-77(43)45(79)26-27-65-53(80)38(16)67-58(85)46(32(5)6)70-60(87)48(34(9)10)71-61(88)49(35(11)12)72-63(52)90/h31-43,46-52H,19-30H2,1-18H3,(H,65,80)(H,66,83)(H,67,85)(H,68,86)(H,69,81)(H,70,87)(H,71,88)(H,72,90)(H,73,84)(H,74,82)(H,75,89)/t37-,38-,39-,40-,41-,42+,43-,46+,47+,48-,49+,50+,51+,52-/m1/s1
SMILES	CCCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@H]3CCCN3C(=O)CCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(C)C)C(C)C)C)C(C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Zhou, Qiuqin; Grundmann, Florian; Kaiser, Marcel; Schiell, Matthias; Gaudriault, Sophie; Batzer, Andreas; Kurz, Michael; Bode, Helge B. Structure and biosynthesis of xenoamicins from entomopathogenic xenorhabdus Chemistry - A European Journal 2013 19 (49) 16772-16779.
DOI	10.1002/chem.201302481	PMID	24203528

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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