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Compounds

COMPOUND NPA022822

STRUCTURE

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PROPERTIES

NPAID	NPA022822
CLUSTER ID	283
NODE ID	257
NAME	Deimino-antipain
FORMULA	C27H43N9O7
MOLECULAR WEIGHT (Da)	605.6970
ACCURATE MASS (Da)	605.3285
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	albulus NRRL B-3066
InChIKey	BSQUDBCOAFMVDB-KTYMLHDXSA-N
InChI	InChI=1S/C27H43N9O7/c1-16(2)21(23(39)33-18(15-37)10-6-12-31-25(28)29)36-22(38)19(11-7-13-32-26(30)42)34-27(43)35-20(24(40)41)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,33,39)(H,36,38)(H,40,41)(H4,28,29,31)(H3,30,32,42)(H2,34,35,43)/t18?,19-,20-,21-/m0/s1
SMILES	CC(C)[C@@H](C(=O)NC(CCCN=C(N)N)C=O)NC(=O)[C@H](CCCNC(=O)N)NC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Maxson, Tucker; Tietz, Jonathan I.; Hudson, Graham A.; Guo, Xiao Rui; Tai, Hua-Chia; Mitchell, Douglas A. Targeting Reactive Carbonyls for Identifying Natural Products and Their Biosynthetic Origins Journal of the American Chemical Society 2016 138 (46) 15157-15166.
DOI	10.1021/jacs.6b06848	PMID	27797509

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Streptomyces	LPSN	1883

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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