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Compounds

COMPOUND NPA018442

STRUCTURE

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PROPERTIES

NPAID	NPA018442
CLUSTER ID	854
NODE ID	739
NAME	Sansanmycin J
FORMULA	C39H48N8O12S
MOLECULAR WEIGHT (Da)	852.9240
ACCURATE MASS (Da)	852.3112
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. SS
InChIKey	WYJXDKVIFSVYLG-VVPUSWRQSA-N
InChI	InChI=1S/C39H48N8O12S/c1-20(46(2)35(54)28-16-23-15-25(49)9-6-22(23)18-40-28)32(34(53)41-19-26-17-30(50)36(59-26)47-12-10-31(51)44-39(47)58)45-33(52)27(11-13-60-3)42-38(57)43-29(37(55)56)14-21-4-7-24(48)8-5-21/h4-10,12,15,19-20,27-30,32,36,40,48-50H,11,13-14,16-18H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b26-19-/t20-,27-,28-,29-,30+,32-,36+/m0/s1
SMILES	C[C@@H]([C@@H](C(=O)N/C=C\1/C[C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)NC(=O)[C@H](CCSC)NC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)N(C)C(=O)[C@@H]4CC5=C(CN4)C=CC(=C5)O

ORIGINAL ISOLATION REFERENCE

CITATION	Xie, Yunying; Cai, Qiang; Ren, Hao; Wang, Lifei; Xu, Hongzhang; Hong, Bin; Wu, Linzhuan; Chen, Ruxian NRPS Substrate Promiscuity Leads to More Potent Antitubercular Sansanmycin Analogues Journal of Natural Products 2014 77 (7) 1744-1748.
DOI	10.1021/np5001494	PMID	24964393

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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