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Compounds

COMPOUND NPA019185

STRUCTURE

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PROPERTIES

NPAID	NPA019185
CLUSTER ID	119
NODE ID	113
NAME	Kitastatin 1
FORMULA	C36H53N3O12
MOLECULAR WEIGHT (Da)	719.8290
ACCURATE MASS (Da)	719.3629
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Kitasatospora
ORIGIN SPECIES	sp.
InChIKey	NHGPGFIEZTYBBN-GTBKNNTQSA-N
InChI	InChI=1S/C36H53N3O12/c1-11-19(6)28-31(43)38-24(15-17(2)3)29(41)36(9,10)35(47)50-25(16-18(4)5)33(45)48-20(7)26(34(46)49-21(8)32(44)51-28)39-30(42)22-13-12-14-23(37)27(22)40/h12-14,17-21,24-26,28,40H,11,15-16,37H2,1-10H3,(H,38,43)(H,39,42)/t19?,20-,21+,24+,25+,26+,28+/m1/s1
SMILES	CCC(C)[C@H]1C(=O)N[C@H](C(=O)C(C(=O)O[C@H](C(=O)O[C@@H]([C@@H](C(=O)O[C@H](C(=O)O1)C)NC(=O)C2=C(C(=CC=C2)N)O)C)CC(C)C)(C)C)CC(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Pettit, George R.; Tan, Rui; Pettit, Robin K.; Smith, Thomas H.; Feng, Song; Doubek, Dennis L.; Richert, Linda; Hamblin, John; Weber, Christine; Chapuis, Jean-Charles Antineoplastic Agents. 560. Isolation and Structure of Kitastatin 1 from an Alaskan Kitasatospora sp.1 Journal of Natural Products 2007 70 (7) 1069-1072.
DOI	10.1021/np068072c	PMID	17608530

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	Kitasatospora	LPSN	2063

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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