Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005723365 | Gold | 3 |
| CCMSLIB00012106364 | Gold | 4 |
| CCMSLIB00012106363 | Gold | 4 |
| CCMSLIB00012106365 | Gold | 4 |
| CCMSLIB00012106366 | Gold | 4 |
| CCMSLIB00012106367 | Gold | 4 |
| CCMSLIB00009946161 | Gold | 4 |
| CCMSLIB00009946160 | Gold | 4 |
| CCMSLIB00009946162 | Gold | 4 |
| CCMSLIB00009946163 | Gold | 4 |
| CCMSLIB00009946164 | Gold | 4 |
COMPOUND NPA024792
PROPERTIES
| NPAID | NPA024792 |
|---|---|
| CLUSTER ID | 7561 |
| NODE ID | 5175 |
| NAME | Bacillaene |
| FORMULA | C34H50N2O6 |
| MOLECULAR WEIGHT (Da) | 582.7820 |
| ACCURATE MASS (Da) | 582.3669 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | subtilis |
| InChIKey | VGZNPOHVJNZAOU-OISZERLPSA-N |
| InChI | InChI=1S/C34H50N2O6/c1-25(2)23-31(38)33(40)35-22-16-9-7-8-11-17-26(3)18-14-15-19-27(4)30(37)24-32(39)36-29(6)21-13-10-12-20-28(5)34(41)42/h7-8,10-15,17-21,25,28,30-31,37-38H,9,16,22-24H2,1-6H3,(H,35,40)(H,36,39)(H,41,42)/b8-7-,13-10+,15-14-,17-11+,20-12+,26-18+,27-19-,29-21- |
| SMILES | CC(C)CC(C(=O)NCCC/C=C\C=C\C(=C\C=C/C=C(/C)\C(CC(=O)N/C(=C\C=C\C=C\C(C)C(=O)O)/C)O)\C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Butcher RA; Schroeder FC; Fischbach MA; Straight PD; Kolter R; Walsh CT; Clardy J The identification of bacillaene, the product of the PksX megacomplex in Bacillus subtilis. Proceedings of the National Academy of Sciences of the United States of America 2007 104 (5) 1506-1509. | ||
|---|---|---|---|
| DOI | 10.1073/pnas.0610503104 | PMID | 17234808 |
