Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA004167
PROPERTIES
NPAID | NPA004167 |
---|---|
CLUSTER ID | 262 |
NODE ID | 239 |
NAME | Thiomuracin F |
FORMULA | C59H50N14O12S6 |
MOLECULAR WEIGHT (Da) | 1339.5370 |
ACCURATE MASS (Da) | 1338.2057 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Nonomuraea |
ORIGIN SPECIES | sp. |
InChIKey | DRXXEEZOBQMPQN-KBXWVDHMSA-N |
InChI | InChI=1S/C59H50N14O12S6/c1-24(27(4)74)42-57-70-40(23-90-57)55-66-36(19-87-55)44-32(15-16-33(63-44)54-68-37(21-88-54)49(80)61-25(2)47(78)62-26(3)59(84)85)53-67-38(20-86-53)51(82)65-35(18-41(60)76)56-73-43(28(5)91-56)52(83)72-45(46(77)30-9-7-6-8-10-30)58-69-39(22-89-58)50(81)64-34(48(79)71-42)17-29-11-13-31(75)14-12-29/h6-16,19-24,34-35,42,45-46,75,77H,2-3,17-18H2,1,4-5H3,(H2,60,76)(H,61,80)(H,62,78)(H,64,81)(H,65,82)(H,71,79)(H,72,83)(H,84,85)/t24-,34-,35-,42-,45-,46+/m0/s1 |
SMILES | CC1=C2C(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C(=O)N[C@H](C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C(=O)NC(=C)C(=O)NC(=C)C(=O)O)C8=NC(=CS8)C(=O)N[C@H](C(=N2)S1)CC(=O)N)[C@@H](C)C(=O)C)CC9=CC=C(C=C9)O)[C@@H](C1=CC=CC=C1)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. | ||
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DOI | 10.1021/ja900488a | PMID | 19338336 |