Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000427306 | Gold | Thuggacin&A |
COMPOUND NPA009721
PROPERTIES
| NPAID | NPA009721 |
|---|---|
| CLUSTER ID | 2246 |
| NODE ID | 1782 |
| NAME | Thuggacin A |
| FORMULA | C35H53NO7S |
| MOLECULAR WEIGHT (Da) | 631.8760 |
| ACCURATE MASS (Da) | 631.3543 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Sorangium |
| ORIGIN SPECIES | cellulosum strain So ce895 |
| InChIKey | CGUNOWXWUXNOPE-IZQHEKLCSA-N |
| InChI | InChI=1S/C35H53NO7S/c1-7-9-10-12-15-26-19-27-21-44-34(36-27)24(5)29(38)20-28(37)16-13-11-14-17-30(43-35(26)42)33(41)32(40)25(6)31(39)23(4)18-22(3)8-2/h8,11,13-14,16,18-19,21,24-25,28-33,37-41H,7,9-10,12,15,17,20H2,1-6H3/b14-11-,16-13+,22-8+,23-18+,26-19+/t24-,25?,28-,29+,30+,31?,32-,33-/m0/s1 |
| SMILES | C/C=C(C)/C=C(\C)C(O)C(C)[C@H](O)[C@@H](O)[C@H]1C/C=C\C=C\[C@H](O)C[C@@H](O)[C@H](C)C2=NC(=CS2)/C=C(\CCCCCC)C(=O)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Steinmetz, Heinrich; Irschik, Herbert; Kunze, Brigitte; Reichenbach, Hans; Höfle, Gerhard; Jansen, Rolf Thuggacins, macrolide antibiotics active against Mycobacterium tuberculosis: isolation from myxobacteria, structure elucidation, conformation analysis and biosynthesis Chemistry - A European Journal 2007 13 (20) 5822-5832. | ||
|---|---|---|---|
| DOI | 10.1002/chem.200700269 | PMID | 17506044 |
SYNTHESES
| CITATION 1 | Yadav JS; Dutta P Total Synthesis of a Diacetonide Derivative of Thuggacin A. Journal of Organic Chemistry 2016 81 (5) 1786-97. DOI: 10.1021/acs.joc.5b02426 PMID: 26856208 | ||
|---|---|---|---|
