Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013163
PROPERTIES
| NPAID | NPA013163 |
|---|---|
| CLUSTER ID | 392 |
| NODE ID | 353 |
| NAME | Tubulysin F |
| FORMULA | C41H61N5O9S |
| MOLECULAR WEIGHT (Da) | 800.0320 |
| ACCURATE MASS (Da) | 799.4190 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Archangium |
| ORIGIN SPECIES | gephyra |
| InChIKey | RWWMZVCEIUIEHQ-WIIAZBTESA-N |
| InChI | InChI=1S/C41H61N5O9S/c1-9-26(5)36(44-38(50)32-18-14-15-19-45(32)8)40(51)46(24-54-35(48)10-2)33(25(3)4)22-34(55-28(7)47)39-43-31(23-56-39)37(49)42-30(20-27(6)41(52)53)21-29-16-12-11-13-17-29/h11-13,16-17,23,25-27,30,32-34,36H,9-10,14-15,18-22,24H2,1-8H3,(H,42,49)(H,44,50)(H,52,53)/t26-,27-,30+,32+,33+,34+,36-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N(COC(=O)CC)[C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCCN3C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Steinmetz, Heinrich; Glaser, Nicole; Herdtweck, Eberhardt; Sasse, Florenz; Reichenbach, Hans; Höfle, Gerhard Isolation, crystal and solution structure determination, and biosynthesis of tubulysins-powerful inhibitors of tubulin polymerization from myxobacteria Angewandte Chemie International Edition 2004 43 (37) 4888-4892. | ||
|---|---|---|---|
| DOI | 10.1002/anie.200460147 | PMID | 15372566 |
