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Compounds

COMPOUND NPA004721

STRUCTURE

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PROPERTIES

NPAID	NPA004721
CLUSTER ID	26
NODE ID	25
NAME	Aeruginopeptin 917S-C
FORMULA	C51H74N8O14
MOLECULAR WEIGHT (Da)	1023.1950
ACCURATE MASS (Da)	1022.5324
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	sp.
InChIKey	ZRKGXBXTXWRIOY-UIULHCEWSA-N
InChI	InChI=1S/C51H74N8O14/c1-9-28(6)42-51(72)73-29(7)43(57-44(65)34(18-20-40(52)63)53-47(68)39(62)25-31-12-16-33(61)17-13-31)48(69)55-36(22-26(2)3)45(66)54-35-19-21-41(64)59(49(35)70)38(23-27(4)5)50(71)58(8)37(46(67)56-42)24-30-10-14-32(60)15-11-30/h10-17,26-29,34-39,41-43,60-62,64H,9,18-25H2,1-8H3,(H2,52,63)(H,53,68)(H,54,66)(H,55,69)(H,56,67)(H,57,65)/t28?,29-,34+,35?,36?,37+,38+,39?,41?,42+,43+/m1/s1
SMILES	CCC(C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)NC(C(=O)NC2CCC(N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=C(C=C3)O)C)CC(C)C)O)CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)C(CC4=CC=C(C=C4)O)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Harada, Ken-ichi; Mayumi, Tsuyoshi; Shimada, Takayuki; Fujii, Kiyonaga; Kondo, Fumio; Park, Ho-dong; Watanabe, Mariyo F. Co-production of microcystins and aeruginopeptins by natural cyanobacterial bloom Environmental Toxicology 2001 16 (4) 298-305.
DOI	10.1002/tox.1036	PMID	11501278

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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