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Compounds

COMPOUND NPA028885

STRUCTURE

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PROPERTIES

NPAID	NPA028885
CLUSTER ID	1021
NODE ID	880
NAME	Balgacyclamide C
FORMULA	C28H36N6O6S
MOLECULAR WEIGHT (Da)	584.6990
ACCURATE MASS (Da)	584.2417
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	aeruginosa EAWAG 251
InChIKey	QKBDCVSHWVPQHK-UGLXWSDTSA-N
InChI	InChI=1S/C28H36N6O6S/c1-5-14(2)21-28-31-19(13-41-28)24(37)29-12-20(36)32-22(15(3)35)25(38)30-18(11-17-9-7-6-8-10-17)27-34-23(16(4)40-27)26(39)33-21/h6-10,13-16,18,21-23,35H,5,11-12H2,1-4H3,(H,29,37)(H,30,38)(H,32,36)(H,33,39)/t14-,15+,16+,18-,21+,22-,23-/m0/s1
SMILES	CC[C@H](C)[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)C2=CSC1=N2

ORIGINAL ISOLATION REFERENCE

CITATION	Portmann C; Sieber S; Wirthensohn S; Blom JF; Da Silva L; Baudat E; Kaiser M; Brun R; Gademann K Balgacyclamides, antiplasmodial heterocyclic peptides from Microcystis aeruguinosa EAWAG 251. Journal of Natural Products 2014 77 (3) 557-562.
DOI	10.1021/np400814w	PMID	24392715

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Chroococcales	LPSN	1118
Family	Microcystaceae	LPSN	1890449
Genus	Microcystis	LPSN	1125

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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