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Compounds

COMPOUND NPA005050

STRUCTURE

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PROPERTIES

NPAID	NPA005050
CLUSTER ID	2255
NODE ID	1794
NAME	13-methyl-thuggacin A
FORMULA	C36H55NO7S
MOLECULAR WEIGHT (Da)	645.9030
ACCURATE MASS (Da)	645.3699
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Sorangium
ORIGIN SPECIES	cellulosum
InChIKey	DCJUWXLPEQBGGN-BTLPENNESA-N
InChI	InChI=1S/C36H55NO7S/c1-8-10-11-12-13-27-19-28-21-45-35(37-28)25(6)30(39)20-29(38)16-14-23(4)15-17-31(44-36(27)43)34(42)33(41)26(7)32(40)24(5)18-22(3)9-2/h9,14-16,18-19,21,25-26,29-34,38-42H,8,10-13,17,20H2,1-7H3/b16-14+,22-9+,23-15-,24-18+,27-19+
SMILES	CCCCCC/C/1=C\C2=CSC(=N2)C(C(CC(/C=C/C(=C\CC(OC1=O)C(C(C(C)C(/C(=C/C(=C/C)/C)/C)O)O)O)/C)O)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Steinmetz, Heinrich; Irschik, Herbert; Kunze, Brigitte; Reichenbach, Hans; Höfle, Gerhard; Jansen, Rolf Thuggacins, macrolide antibiotics active against Mycobacterium tuberculosis: isolation from myxobacteria, structure elucidation, conformation analysis and biosynthesis Chemistry - A European Journal 2007 13 (20) 5822-5832.
DOI	10.1002/chem.200700269	PMID	17506044

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Deltaproteobacteria	LPSN	28221
Order	Myxococcales	LPSN	29
Family	Polyangiaceae	LPSN	49
Genus	Sorangium	LPSN	39643

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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