Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA009196
PROPERTIES
NPAID | NPA009196 |
---|---|
CLUSTER ID | 261 |
NODE ID | 238 |
NAME | Thiomuracin I |
FORMULA | C59H50N14O12S6 |
MOLECULAR WEIGHT (Da) | 1339.5370 |
ACCURATE MASS (Da) | 1338.2057 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Nonomuraea |
ORIGIN SPECIES | sp. |
InChIKey | GHYHGSDPVCUKPA-DJDYGEKWSA-N |
InChI | InChI=1S/C59H50N14O12S6/c1-24-16-41(76)73-45(24)57-70-39(23-90-57)54-66-35(19-87-54)43-31(14-15-32(63-43)53-68-36(21-88-53)48(79)61-25(2)47(78)62-26(3)59(84)85)52-67-37(20-86-52)49(80)64-33(18-40(60)75)55-72-42(27(4)91-55)51(82)71-44(46(77)29-8-6-5-7-9-29)56-69-38(22-89-56)50(81)65-34(58(73)83)17-28-10-12-30(74)13-11-28/h5-15,19-24,33-34,41,44-46,74,76-77H,2-3,16-18H2,1,4H3,(H2,60,75)(H,61,79)(H,62,78)(H,64,80)(H,65,81)(H,71,82)(H,84,85)/t24-,33-,34-,41-,44-,45-,46+/m0/s1 |
SMILES | C[C@H]1C[C@@H](N2[C@@H]1C3=NC(=CS3)C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C(=O)NC(=C)C(=O)NC(=C)C(=O)O)C7=NC(=CS7)C(=O)N[C@H](C8=NC(=C(S8)C)C(=O)N[C@H](C9=NC(=CS9)C(=O)N[C@H](C2=O)CC1=CC=C(C=C1)O)[C@@H](C1=CC=CC=C1)O)CC(=O)N)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Morris, Rowan P.; Leeds, Jennifer A.; Naegeli, Hans Ulrich; Oberer, Lukas; Memmert, Klaus; Weber, Eric; LaMarche, Matthew J.; Parker, Christian N.; Burrer, Nathalie; Esterow, Stacey; Hein, Andreas E.; Schmitt, Esther K.; Krastel, Philipp Ribosomally synthesized thiopeptide antibiotics targeting Elongation Factor Tu Journal of the American Chemical Society 2009 131 (16) 5946-5955. | ||
---|---|---|---|
DOI | 10.1021/ja900488a | PMID | 19338336 |