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Compounds

COMPOUND NPA017786

STRUCTURE

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PROPERTIES

NPAID	NPA017786
CLUSTER ID	283
NODE ID	257
NAME	Aeruginosin 98-A
FORMULA	C29H45ClN6O9S
MOLECULAR WEIGHT (Da)	689.2320
ACCURATE MASS (Da)	688.2657
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	aeruginosa (NIES-98)
InChIKey	LNRXFFGKAKWQCV-DJKRDFIDSA-N
InChI	InChI=1S/C29H45ClN6O9S/c1-3-16(2)25(35-27(40)24(38)13-17-6-9-23(37)20(30)12-17)28(41)36-21-15-19(45-46(42,43)44)8-7-18(21)14-22(36)26(39)33-10-4-5-11-34-29(31)32/h6,9,12,16,18-19,21-22,24-25,37-38H,3-5,7-8,10-11,13-15H2,1-2H3,(H,33,39)(H,35,40)(H4,31,32,34)(H,42,43,44)/t16-,18?,19?,21?,22?,24?,25-/m1/s1
SMILES	CC[C@@H](C)[C@H](C(=O)N1C2CC(CCC2CC1C(=O)NCCCCN=C(N)N)OS(=O)(=O)O)NC(=O)C(CC3=CC(=C(C=C3)O)Cl)O

ORIGINAL ISOLATION REFERENCE

CITATION	Murakami, Masahiro; Ishida, Keishi; Okino, Tatsufumi; Okita, Yuji; Matsuda, Hisashi; Yamaguchi, Katsumi Aeruginosins 98-A and B, Trypsin Inhibitors from the Blue-Green Alga Microcystis aeruginosa (NIES-98) Tetrahedron Letters 1995 36 (16) 2785-2788.
DOI	10.1016/0040-4039(95)00396-t	PMID	-

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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