Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013309
PROPERTIES
| NPAID | NPA013309 |
|---|---|
| CLUSTER ID | 392 |
| NODE ID | 353 |
| NAME | Tubulysin D |
| FORMULA | C43H65N5O9S |
| MOLECULAR WEIGHT (Da) | 828.0860 |
| ACCURATE MASS (Da) | 827.4503 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Angiococcus |
| ORIGIN SPECIES | disciformis |
| InChIKey | SAJNCFZAPSBQTQ-HZZFHOQESA-N |
| InChI | InChI=1S/C43H65N5O9S/c1-10-28(6)38(46-40(52)34-18-14-15-19-47(34)9)42(53)48(25-56-37(50)20-26(2)3)35(27(4)5)23-36(57-30(8)49)41-45-33(24-58-41)39(51)44-32(21-29(7)43(54)55)22-31-16-12-11-13-17-31/h11-13,16-17,24,26-29,32,34-36,38H,10,14-15,18-23,25H2,1-9H3,(H,44,51)(H,46,52)(H,54,55)/t28-,29-,32+,34+,35+,36+,38-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)C1=NC(C(=O)N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)O)=CS1)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sasse; Steinmetz; Heil; Hofle; Reichenbach Tubulysins, new cytostatic peptides from myxobacteria acting on microtubuli. Production, isolation, physico-chemical and biological properties Journal of Antibiotics 2000 53 (9) 879-885. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.53.879 | PMID | 11099220 |
SYNTHESES
| CITATION 1 | Peltier HM; McMahon JP; Patterson AW; Ellman JA The total synthesis of tubulysin D. Journal of the American Chemical Society 2006 128 (50) 16018-16019. DOI: 10.1021/ja067177z PMID: 17165738 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCC(C)C(NC(=O)C1CCCCN1C)C(=O)N(COC(=O)CC(C)C)C(CC(OC(C)=O)C1=NC(C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)=CS1)C(C)C | Sasse; Steinmetz; Heil; Hofle; Reichenbach Tubulysins, new cytostatic peptides from myxobacteria acting on microtubuli. Production, isolation, physico-chemical and biological properties Journal of Antibiotics 2000 53 (9) 879-885. DOI: 10.7164/antibiotics.53.879 PMID: 11099220 | ||
| 2 | CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)C1=NC(C(=O)N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)O)=CS1)C(C)C | Peltier HM; McMahon JP; Patterson AW; Ellman JA The total synthesis of tubulysin D. Journal of the American Chemical Society 2006 128 (50) 16018-16019. DOI: 10.1021/ja067177z PMID: 17165738 | ||
