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Compounds

COMPOUND NPA018318

STRUCTURE
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PROPERTIES
NPAID NPA018318
CLUSTER ID 93
NODE ID 88
NAME Epothilone M
FORMULA C26H39NO7S
MOLECULAR WEIGHT (Da) 509.6650
ACCURATE MASS (Da) 509.2447
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Sorangium
ORIGIN SPECIES cellulosum
InChIKey RPAIUMQLLWRSES-WIELBLCUSA-N
InChI InChI=1S/C26H39NO7S/c1-14-7-6-8-20-21(34-20)10-19(28)17(9-18-13-35-16(3)27-18)12-33-23(30)11-22(29)26(4,5)25(32)15(2)24(14)31/h9,13-15,19-22,24,28-29,31H,6-8,10-12H2,1-5H3/b17-9+/t14-,15+,19+,20+,21-,22-,24-/m0/s1
SMILES C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](/C(=C/C3=CSC(=N3)C)/COC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)O
ORIGINAL ISOLATION REFERENCE
CITATION Lu, Chunhua; Liu, Xinli; Li, Yuezhong; Shen, Yuemao Two 18-membered epothilones from Sorangium cellulosum So0157-2 Journal of Antibiotics 2010 63 (9) 571-574.
DOI 10.1038/ja.2010.81 PMID 20606695
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Proteobacteria LPSN 1224
Class Deltaproteobacteria LPSN 28221
Order Myxococcales LPSN 29
Family Polyangiaceae LPSN 49
Genus Sorangium LPSN 39643
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