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Compounds

COMPOUND NPA028528

STRUCTURE

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PROPERTIES

NPAID	NPA028528
CLUSTER ID	1067
NODE ID	919
NAME	Cystobactamid 861-2
FORMULA	C43H39N7O13
MOLECULAR WEIGHT (Da)	861.8210
ACCURATE MASS (Da)	861.2606
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Myxococcus
ORIGIN SPECIES	sp. (SBCy9270)
InChIKey	NGSYXDCEERWVTK-MSEJLTFDSA-N
InChI	InChI=1S/C43H39N7O13/c1-22(2)63-35-32(21-20-31(34(35)51)41(56)46-28-16-8-26(9-17-28)43(58)59)48-39(54)23-4-14-29(15-5-23)47-42(57)33(36(62-3)37(44)52)49-40(55)24-6-12-27(13-7-24)45-38(53)25-10-18-30(19-11-25)50(60)61/h4-22,33,36,51H,1-3H3,(H2,44,52)(H,45,53)(H,46,56)(H,47,57)(H,48,54)(H,49,55)(H,58,59)/t33-,36+/m0/s1
SMILES	CO[C@@H](C(N)=O)[C@H](NC(=O)C1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1)C(=O)NC1=CC=C(C(=O)NC2=C(OC(C)C)C(O)=C(C(=O)NC3=CC=C(C(=O)O)C=C3)C=C2)C=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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