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Compounds

COMPOUND NPA027601

STRUCTURE

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PROPERTIES

NPAID	NPA027601
CLUSTER ID	613
NODE ID	546
NAME	Brintonamide B
FORMULA	C38H58N6O9
MOLECULAR WEIGHT (Da)	742.9150
ACCURATE MASS (Da)	742.4265
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Unknown
ORIGIN SPECIES	sp.
InChIKey	JQMRBQCVOQBYQU-BANKALSUSA-N
InChI	InChI=1S/C38H58N6O9/c1-23(2)20-29(41(6)31(45)22-39-33(47)27-16-12-18-43(27)37(51)32(46)24(3)4)34(48)40-25(5)35(49)42(7)30(21-26-14-10-9-11-15-26)36(50)44-19-13-17-28(44)38(52)53-8/h9-11,14-15,23-25,27-30,32,46H,12-13,16-22H2,1-8H3,(H,39,47)(H,40,48)/t25-,27-,28-,29-,30+,32+/m0/s1
SMILES	COC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1=CC=CC=C1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)C(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Al-Awadhi FH; Gao B; Rezaei MA; Kwan JC; Li C; Ye T; Paul VJ; Luesch H Discovery, Synthesis, Pharmacological Profiling, and Biological Characterization of Brintonamides A-E, Novel Dual Protease and GPCR Modulators from a Marine Cyanobacterium. Journal of Medicinal Chemistry 2018 61 (14) 6364-6378.
DOI	10.1021/acs.jmedchem.8b00885	PMID	30015488

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117

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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