Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005489614 | Gold | 3 |
| CCMSLIB00005489616 | Gold | 3 |
| CCMSLIB00005489615 | Gold | 3 |
| CCMSLIB00000479784 | Gold | 3!CCMSLIB00003739962 |
COMPOUND NPA024689
PROPERTIES
| NPAID | NPA024689 |
|---|---|
| CLUSTER ID | 3786 |
| NODE ID | 2842 |
| NAME | Tunicamycin B |
| FORMULA | C39H64N4O16 |
| MOLECULAR WEIGHT (Da) | 844.9530 |
| ACCURATE MASS (Da) | 844.4317 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | lysosuperficus |
| InChIKey | ZOCXUHJGZXXIGQ-SNVGCAQGSA-N |
| InChI | InChI=1S/C39H64N4O16/c1-20(2)14-12-10-8-6-4-5-7-9-11-13-15-25(47)41-28-32(52)29(49)23(56-38(28)59-37-27(40-21(3)45)31(51)30(50)24(19-44)57-37)18-22(46)35-33(53)34(54)36(58-35)43-17-16-26(48)42-39(43)55/h13,15-17,20,22-24,27-38,44,46,49-54H,4-12,14,18-19H2,1-3H3,(H,40,45)(H,41,47)(H,42,48,55)/b15-13+/t22-,23-,24+,27+,28-,29+,30+,31+,32-,33+,34-,35-,36-,37+,38+/m1/s1 |
| SMILES | CC(C)CCCCCCCCCC/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Akira TAKATSUKI, Kenji KAWAMURA, Masao OKINA, Yoshio KODAMA, Teiichiro ITO, Gakuzo TAMURA The Structure of Tunicamycin Agricultural and Biological Chemistry 1977 41 (11) 2307-2309. | ||
|---|---|---|---|
| DOI | 10.1271/bbb1961.41.2307 | PMID | - |
