Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000468
PROPERTIES
| NPAID | NPA000468 |
|---|---|
| CLUSTER ID | 262 |
| NODE ID | 239 |
| NAME | Thiomuracin A |
| FORMULA | C59H50N14O12S6 |
| MOLECULAR WEIGHT (Da) | 1339.5370 |
| ACCURATE MASS (Da) | 1338.2057 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nonomuraea |
| ORIGIN SPECIES | sp. |
| InChIKey | ZNNAUCGMAFZTIY-JVLMLHMMSA-N |
| InChI | InChI=1S/C59H50N14O12S6/c1-24(40-18-85-40)42-57-70-39(23-90-57)55-66-35(19-87-55)44-31(14-15-32(63-44)54-68-36(21-88-54)49(79)61-25(2)47(77)62-26(3)59(83)84)53-67-37(20-86-53)51(81)65-34(17-41(60)75)56-73-43(27(4)91-56)52(82)72-45(46(76)29-8-6-5-7-9-29)58-69-38(22-89-58)50(80)64-33(48(78)71-42)16-28-10-12-30(74)13-11-28/h5-15,19-24,33-34,40,42,45-46,74,76H,2-3,16-18H2,1,4H3,(H2,60,75)(H,61,79)(H,62,77)(H,64,80)(H,65,81)(H,71,78)(H,72,82)(H,83,84)/t24-,33-,34-,40?,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)C9CO9)CC1=CC=C(C=C1)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. | ||
|---|---|---|---|
| DOI | 10.1021/ja900488a | PMID | 19338336 |
