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Compounds

COMPOUND NPA028531

STRUCTURE

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PROPERTIES

NPAID	NPA028531
CLUSTER ID	1067
NODE ID	919
NAME	Cystobactamid 905-2
FORMULA	C45H43N7O14
MOLECULAR WEIGHT (Da)	905.8740
ACCURATE MASS (Da)	905.2868
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Myxococcus
ORIGIN SPECIES	sp. (SBCy9270)
InChIKey	VIQRTJTYLOOEMK-ZGAWMTGXSA-N
InChI	InChI=1S/C45H43N7O14/c1-5-65-34-22-27(45(60)61)12-20-32(34)49-43(58)31-19-21-33(37(36(31)53)66-23(2)3)50-41(56)24-6-15-29(16-7-24)48-44(59)35(38(64-4)39(46)54)51-42(57)25-8-13-28(14-9-25)47-40(55)26-10-17-30(18-11-26)52(62)63/h6-23,35,38,53H,5H2,1-4H3,(H2,46,54)(H,47,55)(H,48,59)(H,49,58)(H,50,56)(H,51,57)(H,60,61)/t35-,38+/m0/s1
SMILES	CCOC1=C(NC(=O)C2=C(O)C(OC(C)C)=C(NC(=O)C3=CC=C(NC(=O)[C@@H](NC(=O)C4=CC=C(NC(=O)C5=CC=C([N+](=O)[O-])C=C5)C=C4)[C@@H](OC)C(N)=O)C=C3)C=C2)C=CC(C(=O)O)=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Hüttel S; Testolin G; Herrmann J; Planke T; Gille F; Moreno M; Stadler M; Brönstrup M; Kirschning A; Müller R Discovery and Total Synthesis of Natural Cystobactamid Derivatives with Superior Activity against Gram-Negative Pathogens. Angewandte Chemie International Edition 2017 56 (41) 12760-12764.
DOI	10.1002/anie.201705913	PMID	28730677

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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