Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012271
PROPERTIES
| NPAID | NPA012271 |
|---|---|
| CLUSTER ID | 262 |
| NODE ID | 239 |
| NAME | Thiomuracin C |
| FORMULA | C59H52N14O11S6 |
| MOLECULAR WEIGHT (Da) | 1325.5540 |
| ACCURATE MASS (Da) | 1324.2264 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nonomuraea |
| ORIGIN SPECIES | sp. |
| InChIKey | HYFKNYXPZWNEHM-BKLBWZGISA-N |
| InChI | InChI=1S/C59H52N14O11S6/c1-6-25(2)42-57-70-40(24-89-57)55-66-36(20-86-55)44-32(16-17-33(63-44)54-68-37(22-87-54)49(79)61-26(3)47(77)62-27(4)59(83)84)53-67-38(21-85-53)51(81)65-35(19-41(60)75)56-73-43(28(5)90-56)52(82)72-45(46(76)30-10-8-7-9-11-30)58-69-39(23-88-58)50(80)64-34(48(78)71-42)18-29-12-14-31(74)15-13-29/h7-17,20-25,34-35,42,45-46,74,76H,3-4,6,18-19H2,1-2,5H3,(H2,60,75)(H,61,79)(H,62,77)(H,64,80)(H,65,81)(H,71,78)(H,72,82)(H,83,84)/t25-,34-,35-,42-,45-,46+/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C2=NC(=CS2)C3=NC(=CS3)C4=C(C=CC(=N4)C5=NC(=CS5)C(=O)NC(=C)C(=O)NC(=C)C(=O)O)C6=NC(=CS6)C(=O)N[C@H](C7=NC(=C(S7)C)C(=O)N[C@H](C8=NC(=CS8)C(=O)N[C@H](C(=O)N1)CC9=CC=C(C=C9)O)[C@@H](C1=CC=CC=C1)O)CC(=O)N |
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 |
