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Compounds

COMPOUND NPA019185

STRUCTURE
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PROPERTIES
NPAID NPA019185
CLUSTER ID 121
NODE ID 115
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
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