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Compounds

COMPOUND NPA016091

STRUCTURE

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PROPERTIES

NPAID	NPA016091
CLUSTER ID	92
NODE ID	87
NAME	9-Oxoepothilone D
FORMULA	C27H39NO6S
MOLECULAR WEIGHT (Da)	505.6770
ACCURATE MASS (Da)	505.2498
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Myxococcus
ORIGIN SPECIES	xanthus
InChIKey	VFLSVROIWGPRPN-BFVWCIFVSA-N
InChI	InChI=1S/C27H39NO6S/c1-15-8-10-21(29)17(3)25(32)18(4)26(33)27(6,7)23(30)13-24(31)34-22(11-9-15)16(2)12-20-14-35-19(5)28-20/h9,12,14,17-18,22-23,25,30,32H,8,10-11,13H2,1-7H3/b15-9-,16-12+/t17-,18+,22-,23-,25-/m0/s1
SMILES	C[C@@H]1[C@@H]([C@H](C(=O)C([C@H](CC(=O)O[C@@H](C/C=C(\CCC1=O)/C)/C(=C/C2=CSC(=N2)C)/C)O)(C)C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Tang, Li; Chung, Loleta; Carney, John R; Starks, Courtney M; Licari, Peter; Katz, Leonard Generation of New Epothilones by Genetic Engineering of a Polyketide Synthase in Myxococcus xanthus Journal of Antibiotics 2005 58 (3) 178-184.
DOI	10.1038/ja.2005.20	PMID	15895525

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	Myxococcaceae	LPSN	31
Genus	Myxococcus	LPSN	32

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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