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Compounds

COMPOUND NPA027296

STRUCTURE

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PROPERTIES

NPAID	NPA027296
CLUSTER ID	8247
NODE ID	5602
NAME	Aestuaramide B
FORMULA	C35H43N7O6S3
MOLECULAR WEIGHT (Da)	753.9730
ACCURATE MASS (Da)	753.2437
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Lyngbya
ORIGIN SPECIES	aestuarii
InChIKey	HASVRKZRWCGMOX-CINPPDSJSA-N
InChI	InChI=1S/C35H43N7O6S3/c1-19(2)28-33-39-25(18-51-33)29(44)36-22(12-15-49-3)34(47)42-14-5-7-27(42)32-38-24(17-50-32)30(45)37-23(16-20-8-10-21(43)11-9-20)35(48)41-13-4-6-26(41)31(46)40-28/h8-11,17-19,22-23,26-28,43H,4-7,12-16H2,1-3H3,(H,36,44)(H,37,45)(H,40,46)/t22-,23-,26-,27-,28-/m0/s1
SMILES	CSCC[C@@H]1NC(=O)C2=CSC(=N2)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)C2=CSC(=N2)[C@@H]2CCCN2C1=O

ORIGINAL ISOLATION REFERENCE

CITATION	McIntosh JA; Lin Z; Tianero MD; Schmidt EW Aestuaramides, a natural library of cyanobactin cyclic peptides resulting from isoprene-derived Claisen rearrangements. ACS Chemical Biology 2013 8 (5) 877-883.
DOI	10.1021/cb300614c	PMID	23411099

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	Lyngbya	LPSN	28073

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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