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Compounds

COMPOUND NPA005241

STRUCTURE

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PROPERTIES

NPAID	NPA005241
CLUSTER ID	26
NODE ID	25
NAME	Micropeptin 478-A
FORMULA	C40H62ClN9O15S
MOLECULAR WEIGHT (Da)	976.5040
ACCURATE MASS (Da)	975.3775
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	aeruginosa
InChIKey	XQAUOXBHKXOGBQ-UWMXWBBCSA-N
InChI	InChI=1S/C40H62ClN9O15S/c1-7-19(3)30-39(60)65-21(5)31(48-35(56)28(52)18-64-66(61,62)63)36(57)45-24(10-9-15-44-40(42)43)33(54)46-25-12-14-29(53)50(37(25)58)32(20(4)8-2)38(59)49(6)26(34(55)47-30)17-22-11-13-27(51)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-53H,7-10,12,14-15,17-18H2,1-6H3,(H,45,57)(H,46,54)(H,47,55)(H,48,56)(H4,42,43,44)(H,61,62,63)/t19?,20?,21-,24+,25-,26+,28-,29-,30+,31+,32+/m1/s1
SMILES	CCC(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)C(C)CC)O)CCCN=C(N)N)NC(=O)[C@@H](COS(=O)(=O)O)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Ishida, Keishi; Matsuda, Hisashi; Murakami, Masahiro; Yamaguchi, Katsumi Micropeptins 478-A and -B, Plasmin Inhibitors from the Cyanobacterium Microcystis aeruginosa Journal of Natural Products 1997 60 (2) 184-187.
DOI	10.1021/np9606815	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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