Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006198
PROPERTIES
| NPAID | NPA006198 |
|---|---|
| CLUSTER ID | 1239 |
| NODE ID | 1050 |
| NAME | Ansacarbamitocin A |
| FORMULA | C38H51ClN4O16 |
| MOLECULAR WEIGHT (Da) | 855.2910 |
| ACCURATE MASS (Da) | 854.2989 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | sp. strain NRRL B-24544 |
| InChIKey | ITACDTCLIHYDGL-OBMQOXPTSA-N |
| InChI | InChI=1S/C38H51ClN4O16/c1-17-9-8-10-25(52-6)38(51)15-23(56-36(50)42-38)18(2)32-37(4,59-32)26(57-35(49)41-5)14-27(46)43(21-12-20(11-17)13-22(45)28(21)39)33-29(47)31(53-7)30(58-34(40)48)24(55-33)16-54-19(3)44/h8-10,12-13,18,23-26,29-33,45,47,51H,11,14-16H2,1-7H3,(H2,40,48)(H,41,49)(H,42,50)/b10-8+,17-9+/t18-,23+,24+,25-,26+,29+,30+,31+,32+,33+,37+,38+/m1/s1 |
| SMILES | C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)O)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)NC)[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)COC(=O)C)OC(=O)N)OC)O)\C)OC)(NC(=O)O2)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Snipes, Carl E; Duebelbeis, Dennis O; Olson, Monica; Hahn, Donald R; Dent, William H; Gilbert, Jeffrey R; Werk, Todd L; Davis, George E; Lee-Lu, Rebecca; Graupner, Paul R The ansacarbamitocins: polar ansamitocin derivatives Journal of Natural Products 2007 70 (10) 1578-1581. | ||
|---|---|---|---|
| DOI | 10.1021/np070275t | PMID | 17892263 |
