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Compounds

COMPOUND NPA001517

STRUCTURE

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PROPERTIES

NPAID	NPA001517
CLUSTER ID	26
NODE ID	25
NAME	Micropeptin HA983
FORMULA	C46H62ClN9O13
MOLECULAR WEIGHT (Da)	984.5050
ACCURATE MASS (Da)	983.4156
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	sp.
InChIKey	CTRNIFCHKNRZTD-JTVKUUGFSA-N
InChI	InChI=1S/C46H62ClN9O13/c1-6-23(2)38-46(68)69-24(3)39(54-41(63)29(50-25(4)57)13-17-35(48)59)43(65)51-30(14-18-36(49)60)40(62)52-31-15-19-37(61)56(44(31)66)33(21-26-10-8-7-9-11-26)45(67)55(5)32(42(64)53-38)22-27-12-16-34(58)28(47)20-27/h7-12,16,20,23-24,29-33,37-39,58,61H,6,13-15,17-19,21-22H2,1-5H3,(H2,48,59)(H2,49,60)(H,50,57)(H,51,65)(H,52,62)(H,53,64)(H,54,63)/t23-,24+,29-,30-,31-,32-,33-,37+,38-,39-/m0/s1
SMILES	CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC(=C(C=C3)O)Cl)C)CC4=CC=CC=C4)O)CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Lifshits, Marina; Zafrir-Ilan, Ella; Raveh, Avi; Carmeli, Shmuel Protease inhibitors from three fishpond water blooms of Microcystis spp Tetrahedron 2011 67 (22) 4017-4024.
DOI	10.1016/j.tet.2011.04.042	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Chroococcales	LPSN	1118
Family	Microcystaceae	LPSN	1890449
Genus	Microcystis	LPSN	1125

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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