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Compounds

COMPOUND NPA020834

STRUCTURE

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PROPERTIES

NPAID	NPA020834
CLUSTER ID	788
NODE ID	36
NAME	Oxetanocin
FORMULA	C10H13N5O3
MOLECULAR WEIGHT (Da)	251.2460
ACCURATE MASS (Da)	251.1018
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Bacillus
ORIGIN SPECIES	megaterium NK84-0218
InChIKey	LMJVXGOFWKVXAW-OXOINMOOSA-N
InChI	InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(2-17)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1
SMILES	C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@H](O3)CO)CO

ORIGINAL ISOLATION REFERENCE

CITATION	Nakamura H; Hasegawa S; Shimada N; Fujii A; Takita T; Iitaka Y The X-ray structure determination of oxetanocin Journal of Antibiotics 1986 39 (11) 1626-1629.
DOI	10.7164/antibiotics.39.1626	PMID	3793633

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	Bacillaceae	LPSN	186817
Genus	Bacillus	LPSN	1386

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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