Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015870
PROPERTIES
| NPAID | NPA015870 |
|---|---|
| CLUSTER ID | 5488 |
| NODE ID | 3901 |
| NAME | Bacilysin |
| FORMULA | C12H18N2O5 |
| MOLECULAR WEIGHT (Da) | 270.2850 |
| ACCURATE MASS (Da) | 270.1216 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | subtillis |
| InChIKey | XFOUAXMJRHNTOP-NWQNCHOTSA-N |
| InChI | InChI=1S/C12H18N2O5/c1-5(13)11(16)14-7(12(17)18)4-6-2-3-8(15)10-9(6)19-10/h5-7,9-10H,2-4,13H2,1H3,(H,14,16)(H,17,18)/t5-,6-,7+,9-,10+/m1/s1 |
| SMILES | C[C@@H](N)C(=O)N[C@@H](C[C@H]1CCC(=O)[C@@H]2O[C@H]12)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Walker, JE; Abraham, EP The structure of bacilysin and other products of Bacillus subtillis Biochemical Journal 1970 118 (4) 563-570. | ||
|---|---|---|---|
| DOI | 10.1042/bj1180563 | PMID | 4991476 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC(C(=O)NC(C[C@H]1CCC(=O)[C@H]2[C@@H]1O2)C(=O)O)N | Walker, JE; Abraham, EP The structure of bacilysin and other products of Bacillus subtillis Biochemical Journal 1970 118 (4) 563-570. DOI: 10.1042/bj1180563 PMID: 4991476 | ||
| 2 | C[C@@H](N)C(=O)N[C@@H](C[C@H]1CCC(=O)[C@@H]2O[C@H]12)C(=O)O | Crossley, MJ; Stamford, AW Concise, Stereocontrolled Synthesis of the C4 Epimers of Anticapsin and Bacilysin: Revision of the Configurations of the Natural Products. Australian Journal of Chemistry 1993 46 (9) 1443. DOI: 10.1071/ch9931443 | ||
