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Compounds

COMPOUND NPA004611

STRUCTURE

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PROPERTIES

NPAID	NPA004611
CLUSTER ID	854
NODE ID	739
NAME	Sansanmycin H
FORMULA	C38H48N8O12S
MOLECULAR WEIGHT (Da)	840.9130
ACCURATE MASS (Da)	840.3112
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. SS
InChIKey	IBKGYXSLNPEYQW-IHDBKHCHSA-N
InChI	InChI=1S/C38H48N8O12S/c1-20(45(2)34(53)26(39)16-22-5-4-6-24(48)15-22)31(33(52)40-19-25-18-29(49)35(58-25)46-13-11-30(50)43-38(46)57)44-32(51)27(12-14-59-3)41-37(56)42-28(36(54)55)17-21-7-9-23(47)10-8-21/h4-11,13,15,19-20,26-29,31,35,47-49H,12,14,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)/b25-19-/t20-,26-,27-,28-,29+,31-,35+/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](CC4=CC(=CC=C4)O)N

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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