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Compounds

COMPOUND NPA032835

STRUCTURE

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PROPERTIES

NPAID	NPA032835
CLUSTER ID	5313
NODE ID	3786
NAME	Staphylopine
FORMULA	C13H20N4O6
MOLECULAR WEIGHT (Da)	328.3250
ACCURATE MASS (Da)	328.1383
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Staphylococcus
ORIGIN SPECIES	aureus
InChIKey	WLNNYKMTYVPSDL-VYDKEIKOSA-N
InChI	InChI=1S/C13H20N4O6/c1-7(11(18)19)17-9(12(20)21)2-3-15-10(13(22)23)4-8-5-14-6-16-8/h5-7,9-10,15,17H,2-4H2,1H3,(H,14,16)(H,18,19)(H,20,21)(H,22,23)/t7?,9-,10+/m0/s1
SMILES	CC(N[C@@H](CCN[C@H](CC1=CN=C[NH]1)C(=O)O)C(=O)O)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ghssein, Ghassan; Brutesco, Catherine; Ouerdane, Laurent; Fojcik, Clémentine; Izaute, Amélie; Wang, Shuanglong; Hajjar, Christine; Lobinski, Ryszard; Lemaire, David; Richaud, Pierre; Voulhoux, Romé; Espaillat, Akbar; Cava, Felipe; Pignol, David; Borezée-Durant, Elise; Arnoux, Pascal Biosynthesis of a broad-spectrum nicotianamine-like metallophore in Staphylococcus aureus Science 2016 352 (6289) 1105-1109.
DOI	10.1126/science.aaf1018	PMID	27230378

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Firmicutes	LPSN	1239
Class	Bacilli	LPSN	91061
Order	Bacillales	LPSN	1385
Family	Staphylococcaceae	LPSN	90964
Genus	Staphylococcus	LPSN	1279

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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