Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA020210
PROPERTIES
NPAID | NPA020210 |
---|---|
CLUSTER ID | 249 |
NODE ID | 20 |
NAME | Macyranone B |
FORMULA | C35H53N5O11 |
MOLECULAR WEIGHT (Da) | 719.8330 |
ACCURATE MASS (Da) | 719.3742 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Cystobacter |
ORIGIN SPECIES | fuscus MCy9118 |
InChIKey | MSPVQUNLNAOKSA-UGPVNDJUSA-N |
InChI | InChI=1S/C35H53N5O11/c1-18(2)15-24(31(46)40-35(17-19(3)4)26(43)13-14-51-35)36-32(47)27(21(6)41)39-33(48)28(22(7)42)38-30(45)20(5)29(44)37-25(34(49)50)16-23-11-9-8-10-12-23/h8-12,18-22,24-25,27-28,41-42H,13-17H2,1-7H3,(H,36,47)(H,37,44)(H,38,45)(H,39,48)(H,40,46)(H,49,50)/t20?,21-,22+,24-,25-,27-,28-,35?/m0/s1 |
SMILES | C[C@@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NC1(C(=O)CCO1)CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C(C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Keller, Lena; Plaza, Alberto; Dubiella, Christian; Groll, Michael; Kaiser, Marcel; Müller, Rolf Macyranones: Structure, Biosynthesis, and Binding Mode of an Unprecedented Epoxyketone that Targets the 20S Proteasome Journal of the American Chemical Society 2015 137 (25) 8121-8130. | ||
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DOI | 10.1021/jacs.5b03833 | PMID | 26050527 |