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Compounds

COMPOUND NPA028683

STRUCTURE

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PROPERTIES

NPAID	NPA028683
CLUSTER ID	50
NODE ID	46
NAME	[D‐Asp3,DMAdda5]MC-LA
FORMULA	C44H63N7O12
MOLECULAR WEIGHT (Da)	882.0250
ACCURATE MASS (Da)	881.4535
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Hapalosiphon
ORIGIN SPECIES	sp.
InChIKey	YEECPBMSOJOCFK-BSBXEUFZSA-N
InChI	InChI=1S/C44H63N7O12/c1-23(2)19-33-42(59)50-34(44(62)63)22-36(53)45-27(6)39(56)47-31(16-15-24(3)20-25(4)35(52)21-30-13-11-10-12-14-30)26(5)38(55)48-32(43(60)61)17-18-37(54)51(9)29(8)41(58)46-28(7)40(57)49-33/h10-16,20,23,25-28,31-35,52H,8,17-19,21-22H2,1-7,9H3,(H,45,53)(H,46,58)(H,47,56)(H,48,55)(H,49,57)(H,50,59)(H,60,61)(H,62,63)/b16-15+,24-20+/t25-,26-,27-,28+,31-,32+,33-,34+,35-/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(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@@H](O)CC2=CC=CC=C2)[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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