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Compounds

COMPOUND NPA028530

STRUCTURE

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PROPERTIES

NPAID	NPA028530
CLUSTER ID	1067
NODE ID	919
NAME	Cystobactamid 891-2
FORMULA	C44H41N7O14
MOLECULAR WEIGHT (Da)	891.8470
ACCURATE MASS (Da)	891.2711
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Myxococcus
ORIGIN SPECIES	sp. (SBCy9270)
InChIKey	WMLWGVVLDSEQNF-PIZIKKFZSA-N
InChI	InChI=1S/C44H41N7O14/c1-22(2)65-36-32(20-18-30(35(36)52)42(57)48-31-19-11-26(44(59)60)21-33(31)63-3)49-40(55)23-5-14-28(15-6-23)47-43(58)34(37(64-4)38(45)53)50-41(56)24-7-12-27(13-8-24)46-39(54)25-9-16-29(17-10-25)51(61)62/h5-22,34,37,52H,1-4H3,(H2,45,53)(H,46,54)(H,47,58)(H,48,57)(H,49,55)(H,50,56)(H,59,60)/t34-,37+/m0/s1
SMILES	COC1=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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