Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028984
PROPERTIES
| NPAID | NPA028984 |
|---|---|
| CLUSTER ID | 8573 |
| NODE ID | 5804 |
| NAME | Esperamicin X |
| FORMULA | C36H40N2O14S |
| MOLECULAR WEIGHT (Da) | 756.7830 |
| ACCURATE MASS (Da) | 756.2200 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomadura |
| ORIGIN SPECIES | verrucosospora BBM1675, ATCC 39334 |
| InChIKey | VJHJKMGVGQWRIC-PFRUFCEFSA-N |
| InChI | InChI=1S/C36H40N2O14S/c1-16-27(39)24(51-33(43)19-13-22(47-4)23(48-5)14-21(19)37-32(42)17(2)46-3)15-26(50-16)52-31-28(40)29(38-34(44)49-6)36-25(11-12-53-36)35(31,45)20-10-8-7-9-18(20)30(36)41/h7-11,13-14,16,24,26-27,29-31,39,41,45H,2,12,15H2,1,3-6H3,(H,37,42)(H,38,44)/t16-,24-,26-,27+,29+,30+,31-,35-,36+/m0/s1 |
| SMILES | C=C(OC)C(=O)NC1=CC(OC)=C(OC)C=C1C(=O)O[C@H]1C[C@H](O[C@H]2C(=O)[C@@H](NC(=O)OC)[C@]34SCC=C3[C@@]2(O)C2=CC=CC=C2[C@H]4O)O[C@@H](C)[C@H]1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jerzy Golik, Jon Clardy, George Dubay, Gary Groenewold, Hiroshi Kawaguchi, Masataka Konishi, Bala Krishnan, Hiroaki Ohkuma, Kyoichiro Saitoh, and Terrence W. Doyle Esperamicins, a novel class of potent antitumor antibiotics. 2. Structure of esperamicin X Journal of the American Chemical Society 1987 109 (11) 3461-3462. | ||
|---|---|---|---|
| DOI | 10.1021/ja00245a048 | PMID | - |
