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Compounds

COMPOUND NPA028687

STRUCTURE

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PROPERTIES

NPAID	NPA028687
CLUSTER ID	50
NODE ID	46
NAME	[D‐Asp3]MC‐LV
FORMULA	C47H69N7O12
MOLECULAR WEIGHT (Da)	924.1060
ACCURATE MASS (Da)	923.5004
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Hapalosiphon
ORIGIN SPECIES	sp.
InChIKey	OFWRHWYXGMTEEE-CTLQKDTCSA-N
InChI	InChI=1S/C47H69N7O12/c1-25(2)21-35-44(60)52-36(47(64)65)24-38(55)53-40(26(3)4)45(61)49-33(18-17-27(5)22-28(6)37(66-11)23-32-15-13-12-14-16-32)29(7)41(57)50-34(46(62)63)19-20-39(56)54(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,25-26,28-30,33-37,40H,9,19-21,23-24H2,1-8,10-11H3,(H,48,59)(H,49,61)(H,50,57)(H,51,58)(H,52,60)(H,53,55)(H,62,63)(H,64,65)/b18-17+,27-22+/t28-,29-,30+,33-,34+,35-,36+,37-,40-/m0/s1
SMILES	C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C

ORIGINAL ISOLATION REFERENCE

CITATION	Fewer DP; Rouhiainen L; Jokela J; Wahlsten M; Laakso K; Wang H; Sivonen K Recurrent adenylation domain replacement in the microcystin synthetase gene cluster. BMC Evolutionary Biology 2007 7 183.
DOI	10.1186/1471-2148-7-183	PMID	17908306

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Hapalosiphonaceae	LPSN	1892263
Genus	Hapalosiphon	LPSN	162985

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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