Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008516
PROPERTIES
| NPAID | NPA008516 |
|---|---|
| CLUSTER ID | 392 |
| NODE ID | 353 |
| NAME | N-desmethyl 11-acetoxy pretubulysin D |
| FORMULA | C37H55N5O7S |
| MOLECULAR WEIGHT (Da) | 713.9420 |
| ACCURATE MASS (Da) | 713.3822 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cystobacter |
| ORIGIN SPECIES | sp. SBCb004 |
| InChIKey | RXKZEOMBVZELEA-UZNIZVIGSA-N |
| InChI | InChI=1S/C37H55N5O7S/c1-8-23(4)32(41-34(45)30-16-12-13-17-42(30)7)35(46)39-28(22(2)3)20-31(49-25(6)43)36-40-29(21-50-36)33(44)38-27(18-24(5)37(47)48)19-26-14-10-9-11-15-26/h9-11,14-15,21-24,27-28,30-32H,8,12-13,16-20H2,1-7H3,(H,38,44)(H,39,46)(H,41,45)(H,47,48)/t23-,24-,27+,28+,30+,31+,32-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[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 | Chai, Yi; Pistorius, Dominik; Ullrich, Angelika; Weissman, Kira J; Kazmaier, Uli; Müller, Rolf Discovery of 23 natural tubulysins from Angiococcus disciformis An d48 and Cystobacter SBCb004 Chemistry & Biology 2010 17 (3) 296. | ||
|---|---|---|---|
| DOI | 10.1016/j.chembiol.2010.01.016 | PMID | 20338521 |
