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Compounds

COMPOUND NPA035610

STRUCTURE

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PROPERTIES

NPAID	NPA035610
CLUSTER ID	613
NODE ID	546
NAME	Amantamide B
FORMULA	C58H95N9O11
MOLECULAR WEIGHT (Da)	1094.4500
ACCURATE MASS (Da)	1093.7151
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Oscillatoria
ORIGIN SPECIES	sp. XSCB-201721
InChIKey	POGQLZLHMNTNMI-QWJXWMLISA-N
InChI	InChI=1S/C58H95N9O11/c1-17-24-46(68)64(14)50(38(9)10)57(76)63(13)44(32-36(5)6)51(70)60-41(31-35(3)4)54(73)66-29-22-27-42(66)55(74)65(15)49(37(7)8)53(72)61-48(39(11)18-2)52(71)59-34-47(69)62(12)45(33-40-25-20-19-21-26-40)56(75)67-30-23-28-43(67)58(77)78-16/h19-21,25-26,35-39,41-45,48-50H,17-18,22-24,27-34H2,1-16H3,(H,59,71)(H,60,70)(H,61,72)/t39-,41-,42-,43-,44-,45+,48-,49+,50-/m0/s1
SMILES	CCCC(=O)N(C)[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC)C(C)C)C(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Li, Te; Xi, Chuchu; Yu, Yiyi; Wang, Ning; Wang, Xiao; Iwasaki, Arihiro; Fang, Fang; Ding, Lijian; Li, Shuang; Zhang, Weiyan; Yuan, Ye; Wang, Tingting; Yan, Xiaojun; He, Shan; Cao, Zhengyu; Naman, C Benjamin Targeted Discovery of Amantamide B, an Ion Channel Modulating Nonapeptide from a South China Sea Oscillatoria Cyanobacterium. Journal of Natural Products 2022 85 (3) 493-500.
DOI	10.1021/acs.jnatprod.1c00983	PMID	34986303

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Oscillatoriaceae	LPSN	1892254
Genus	Oscillatoria	LPSN	1158

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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