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Compounds

COMPOUND NPA027422

STRUCTURE

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PROPERTIES

NPAID	NPA027422
CLUSTER ID	283
NODE ID	257
NAME	Aeruginosin NAL1
FORMULA	C28H42N6O6
MOLECULAR WEIGHT (Da)	558.6800
ACCURATE MASS (Da)	558.3166
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nodularia
ORIGIN SPECIES	spumigena AV1
InChIKey	XKKMWSYEKWIZSV-FYNJCVRDSA-N
InChI	InChI=1S/C28H42N6O6/c1-2-4-25(38)33-22(13-17-6-9-20(36)10-7-17)27(40)34-23-15-21(37)11-8-18(23)14-24(34)26(39)32-19(16-35)5-3-12-31-28(29)30/h6-7,9-10,16,18-19,21-24,36-37H,2-5,8,11-15H2,1H3,(H,32,39)(H,33,38)(H4,29,30,31)/t18-,19?,21?,22-,23-,24-/m0/s1
SMILES	CCCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1[C@H](C(=O)NC(C=O)CCCN=C(N)N)C[C@@H]2CCC(O)C[C@@H]21

ORIGINAL ISOLATION REFERENCE

CITATION	Fewer DP; Jokela J; Paukku E; Österholm J; Wahlsten M; Permi P; Aitio O; Rouhiainen L; Gomez-Saez GV; Sivonen K New structural variants of aeruginosin produced by the toxic bloom forming cyanobacterium Nodularia spumigena. PLoS One 2013 8 (9) e73618.
DOI	10.1371/journal.pone.0073618	PMID	24040002

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Aphanizomenonaceae	LPSN	1892259
Genus	Nodularia	LPSN	159191

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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