Compounds
ID | Spectrum Quality | Annotated Name |
---|---|---|
CCMSLIB00005737998 | Gold | 3 |
CCMSLIB00005738260 | Gold | 3 |
CCMSLIB00005738157 | Gold | 3 |
CCMSLIB00005723697 | Gold | 3 |
CCMSLIB00012126551 | Gold | 4 |
CCMSLIB00009966348 | Gold | 4 |
COMPOUND NPA011271
PROPERTIES
NPAID | NPA011271 |
---|---|
CLUSTER ID | 1041 |
NODE ID | 509 |
NAME | N-3-oxohexanoyl-L-homoserine lactone |
FORMULA | C12H21NO3 |
MOLECULAR WEIGHT (Da) | 227.3040 |
ACCURATE MASS (Da) | 227.1521 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Photobacterium |
ORIGIN SPECIES | fischeri strain MJ-1 |
InChIKey | JKEJEOJPJVRHMQ-JTQLQIEISA-N |
InChI | InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1 |
SMILES | CCCCCCCC(=O)N[C@H]1CCOC1=O |
ORIGINAL ISOLATION REFERENCE
CITATION | Eberhard A, Burlingame AL, Eberhard C, Kenyon GL, Nealson KH, Oppenheimer NJ Structural identification of autoinducer of Photobacterium fischeri luciferase Biochemistry 1981 20 (9) 2444-2449. | ||
---|---|---|---|
DOI | 10.1021/bi00512a013 | PMID | 7236614 |