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Compounds

COMPOUND NPA027295

STRUCTURE

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PROPERTIES

NPAID	NPA027295
CLUSTER ID	8247
NODE ID	5602
NAME	Aestuaramide A
FORMULA	C40H51N7O6S3
MOLECULAR WEIGHT (Da)	822.0920
ACCURATE MASS (Da)	821.3063
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Lyngbya
ORIGIN SPECIES	aestuarii
InChIKey	YOYNSTWQXPGTNJ-SYUOHOBJSA-N
InChI	InChI=1S/C40H51N7O6S3/c1-7-40(4,5)53-25-14-12-24(13-15-25)20-27-39(52)46-17-8-10-30(46)35(50)45-32(23(2)3)37-44-29(22-56-37)33(48)41-26(16-19-54-6)38(51)47-18-9-11-31(47)36-43-28(21-55-36)34(49)42-27/h7,12-15,21-23,26-27,30-32H,1,8-11,16-20H2,2-6H3,(H,41,48)(H,42,49)(H,45,50)/t26-,27-,30-,31-,32-/m0/s1
SMILES	C=CC(C)(C)OC1=CC=C(C[C@@H]2NC(=O)C3=CSC(=N3)[C@@H]3CCCN3C(=O)[C@H](CCSC)NC(=O)C3=CSC(=N3)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3C2=O)C=C1

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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