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Compounds

COMPOUND NPA010607

STRUCTURE

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PROPERTIES

NPAID	NPA010607
CLUSTER ID	4214
NODE ID	3121
NAME	2-methylpropane-1,2-dithiol
FORMULA	C4H10S2
MOLECULAR WEIGHT (Da)	122.2580
ACCURATE MASS (Da)	122.0224
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cytophaga
ORIGIN SPECIES	sp. BIO137
InChIKey	RSJZKUQJWIKWDY-UHFFFAOYSA-N
InChI	InChI=1S/C4H10S2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3
SMILES	CC(C)(CS)S

ORIGINAL ISOLATION REFERENCE

CITATION	Sobik, Paul; Grunenberg, Joerg; Boeroeczky, Katalin; Laatsch, Hartmut; Wagner-Doebler, Irene; Schulz, Stefan Identification, synthesis, and conformation of tri- and tetrathiacycloalkanes from marine bacteria Journal of Organic Chemistry 2007 72 (10) 3776-3782.
DOI	10.1021/jo070048w	PMID	17428096

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Bacteroidetes	LPSN	976
Class	Cytophagia	LPSN	768503
Order	Cytophagales	LPSN	768507
Family	Cytophagaceae	LPSN	89373
Genus	Cytophaga	LPSN	978

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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