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Compounds

COMPOUND NPA028684

STRUCTURE

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PROPERTIES

NPAID	NPA028684
CLUSTER ID	50
NODE ID	46
NAME	[D‐Asp3]MC-VA
FORMULA	C44H63N7O12
MOLECULAR WEIGHT (Da)	882.0250
ACCURATE MASS (Da)	881.4535
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Hapalosiphon
ORIGIN SPECIES	sp.
InChIKey	RBZCKDFHDZZPOQ-FTJZKGJUSA-N
InChI	InChI=1S/C44H63N7O12/c1-23(2)37-42(58)49-33(44(61)62)22-35(52)45-27(6)39(55)47-31(17-16-24(3)20-25(4)34(63-10)21-30-14-12-11-13-15-30)26(5)38(54)48-32(43(59)60)18-19-36(53)51(9)29(8)41(57)46-28(7)40(56)50-37/h11-17,20,23,25-28,31-34,37H,8,18-19,21-22H2,1-7,9-10H3,(H,45,52)(H,46,57)(H,47,55)(H,48,54)(H,49,58)(H,50,56)(H,59,60)(H,61,62)/b17-16+,24-20+/t25-,26-,27-,28+,31-,32+,33+,34-,37-/m0/s1
SMILES	C=C1C(=O)N[C@H](C)C(=O)N[C@@H](C(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](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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