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Compounds

COMPOUND NPA009923

STRUCTURE

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PROPERTIES

NPAID	NPA009923
CLUSTER ID	26
NODE ID	25
NAME	Aeruginopeptin 917S-B
FORMULA	C54H76N8O15
MOLECULAR WEIGHT (Da)	1077.2430
ACCURATE MASS (Da)	1076.5430
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	sp.
InChIKey	OZABBUPKYTXOSK-FAXLDAIESA-N
InChI	InChI=1S/C54H76N8O15/c1-7-29(4)45-54(76)77-30(5)46(60-47(69)37(20-22-43(55)67)56-50(72)42(66)27-33-12-18-36(65)19-13-33)51(73)58-39(25-31-8-14-34(63)15-9-31)48(70)57-38-21-23-44(68)62(52(38)74)41(24-28(2)3)53(75)61(6)40(49(71)59-45)26-32-10-16-35(64)17-11-32/h8,10-14,16-19,28-31,34,37-42,44-46,63-66,68H,7,9,15,20-27H2,1-6H3,(H2,55,67)(H,56,72)(H,57,70)(H,58,73)(H,59,71)(H,60,69)/t29?,30-,31?,34?,37+,38?,39?,40+,41+,42?,44?,45+,46+/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)CC4CCC(C=C4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)C(CC5=CC=C(C=C5)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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