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Compounds

COMPOUND NPA023819

STRUCTURE

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PROPERTIES

NPAID	NPA023819
CLUSTER ID	2786
NODE ID	2150
NAME	3-amino-rifamycin S
FORMULA	C37H46N2O12
MOLECULAR WEIGHT (Da)	710.7770
ACCURATE MASS (Da)	710.3051
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Micromonospora
ORIGIN SPECIES	sp.
InChIKey	SMPJCQGFZSDIHE-GVDHMVJUSA-N
InChI	InChI=1S/C37H46N2O12/c1-15-11-10-12-16(2)36(47)39-27-26(38)31(44)23-24(32(27)45)30(43)20(6)34-25(23)35(46)37(8,51-34)49-14-13-22(48-9)17(3)33(50-21(7)40)19(5)29(42)18(4)28(15)41/h10-15,17-19,22,28-29,33,41-43H,38H2,1-9H3,(H,39,47)/b11-10+,14-13+,16-12-/t15-,17+,18+,19+,22-,28-,29+,33+,37-/m0/s1
SMILES	C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=O)C3=C4C(=C(C(=C3C2=O)O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)N)/C

ORIGINAL ISOLATION REFERENCE

CITATION	Williams, David E.; Dalisay, Doralyn S.; Chen, Jessie; Polishchuck, Elena A.; Patrick, Brian O.; Narula, Gagandeep; Ko, Mary; Av-Gay, Yossef; Li, Haoxin; Magarvey, Nathan; Andersen, Raymond J. Aminorifamycins and Sporalactams Produced in Culture by a Micromonospora sp. Isolated from a Northeastern-Pacific Marine Sediment Are Potent Antibiotics Organic Letters 2017 19 (4) 766-769.
DOI	10.1021/acs.orglett.6b03619	PMID	28164711

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Micromonosporales	LPSN	85008
Family	Micromonosporaceae	LPSN	28056
Genus	Micromonospora	LPSN	1873

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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