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Compounds

COMPOUND NPA028700

STRUCTURE

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PROPERTIES

NPAID	NPA028700
CLUSTER ID	50
NODE ID	46
NAME	[ADMAdda5]MC‐HilR
FORMULA	C51H76N10O13
MOLECULAR WEIGHT (Da)	1037.2260
ACCURATE MASS (Da)	1036.5593
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Hapalosiphon
ORIGIN SPECIES	sp.
InChIKey	SJPOBNMEGAYSAV-XZKVJARFSA-N
InChI	InChI=1S/C51H76N10O13/c1-11-27(2)25-39-48(69)60-42(50(72)73)31(6)44(65)57-37(18-15-23-54-51(52)53)47(68)56-36(20-19-28(3)24-29(4)40(74-34(9)62)26-35-16-13-12-14-17-35)30(5)43(64)58-38(49(70)71)21-22-41(63)61(10)33(8)46(67)55-32(7)45(66)59-39/h12-14,16-17,19-20,24,27,29-32,36-40,42H,8,11,15,18,21-23,25-26H2,1-7,9-10H3,(H,55,67)(H,56,68)(H,57,65)(H,58,64)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-19+,28-24+/t27-,29-,30-,31-,32+,36-,37-,38+,39-,40-,42+/m0/s1
SMILES	C=C1C(=O)N[C@H](C)C(=O)N[C@@H](C[C@@H](C)CC)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC(C)=O)[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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