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Compounds

COMPOUND NPA027628

STRUCTURE

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PROPERTIES

NPAID	NPA027628
CLUSTER ID	8283
NODE ID	5631
NAME	Aeruginosin 828A
FORMULA	C36H53ClN6O12S
MOLECULAR WEIGHT (Da)	829.3700
ACCURATE MASS (Da)	828.3131
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Planktothrix
ORIGIN SPECIES	sp.
InChIKey	MXVMKHLVPBOUBP-ZVMVZCEHSA-N
InChI	InChI=1S/C36H53ClN6O12S/c1-19(2)28(37)29(41-33(48)26(44)14-20-6-4-3-5-7-20)34(49)43-24-16-23(54-35-31(46)30(45)27(18-53-35)55-56(50,51)52)9-8-22(24)15-25(43)32(47)40-12-10-21-11-13-42(17-21)36(38)39/h3-7,11,19,22-31,35,44-46H,8-10,12-18H2,1-2H3,(H6,38,39,40,41,47,48,50,51,52)/t22-,23+,24-,25-,26+,27+,28+,29+,30-,31+,35+/m0/s1
SMILES	CC(C)[C@@H](Cl)[C@@H](NC(=O)[C@H](O)CC1=CC=CC=C1)C(=O)N1[C@H](C(=O)NCCC2=CC[N+](=C(N)N)C2)C[C@@H]2CC[C@@H](O[C@H]3OC[C@@H](OS(=O)(=O)[O-])[C@H](O)[C@H]3O)C[C@@H]21

ORIGINAL ISOLATION REFERENCE

CITATION	Kohler E; Grundler V; Häussinger D; Kurmayer R; Gademann K; Pernthaler J; Blom JF The toxicity and enzyme activity of a chlorine and sulfate containing aeruginosin isolated from a non-microcystin-producing Planktothrix strain. Harmful Algae 2014 39 154-160.
DOI	10.1016/j.hal.2014.07.003	PMID	28100989

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Oscillatoriaceae	LPSN	1892254
Genus	Planktothrix	LPSN	54304

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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