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Compounds

COMPOUND NPA027416

STRUCTURE

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PROPERTIES

NPAID	NPA027416
CLUSTER ID	283
NODE ID	257
NAME	Aeruginosin NAL4
FORMULA	C37H58N6O10
MOLECULAR WEIGHT (Da)	746.9030
ACCURATE MASS (Da)	746.4214
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nodularia
ORIGIN SPECIES	spumigena AV1
InChIKey	KCMPXGXUUZANFE-FAQOGLRESA-N
InChI	InChI=1S/C37H58N6O10/c1-2-3-4-5-6-9-31(47)42-27(17-22-10-13-25(46)14-11-22)35(51)43-28-19-26(52-36-33(49)32(48)30(21-45)53-36)15-12-23(28)18-29(43)34(50)41-24(20-44)8-7-16-40-37(38)39/h10-11,13-14,20,23-24,26-30,32-33,36,45-46,48-49H,2-9,12,15-19,21H2,1H3,(H,41,50)(H,42,47)(H4,38,39,40)/t23-,24?,26?,27-,28-,29-,30?,32?,33?,36?/m0/s1
SMILES	CCCCCCCC(=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(OC3OC(CO)C(O)C3O)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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