Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001713 | Gold | 1!CCMSLIB00000070255 |
COMPOUND NPA015753
PROPERTIES
| NPAID | NPA015753 |
|---|---|
| CLUSTER ID | 5466 |
| NODE ID | 3889 |
| NAME | Kalkitoxin |
| FORMULA | C21H38N2OS |
| MOLECULAR WEIGHT (Da) | 366.6150 |
| ACCURATE MASS (Da) | 366.2705 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | majuscula |
| InChIKey | PHYRFZDJEDWWKT-UJWQCDCRSA-N |
| InChI | InChI=1S/C21H38N2OS/c1-8-16(4)21(24)23(7)11-10-15(3)12-17(5)18(6)13-20-22-19(9-2)14-25-20/h9,15-19H,2,8,10-14H2,1,3-7H3/t15-,16-,17+,18-,19-/m1/s1 |
| SMILES | CC[C@@H](C)C(=O)N(C)CC[C@@H](C)C[C@H](C)[C@H](C)CC1=N[C@@H](CS1)C=C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wu; Okino; Nogle; Marquez; Williamson; Sitachitta; Berman; Murray; McGough; Jacobs; Colsen; Asano; Yokokawa; Shioiri; Gerwick Structure, synthesis, and biological properties of kalkitoxin, a novel neurotoxin from the marine cyanobacterium Lyngbya majuscula [24] Journal of the American Chemical Society 2000 122 (48) 12041-12042. | ||
|---|---|---|---|
| DOI | 10.1021/ja005526y | PMID | - |
SYNTHESES
| CITATION 1 | White JD; Xu Q; Lee CS; Valeriote FA Total synthesis and biological evaluation of +-kalkitoxin, a cytotoxic metabolite of the cyanobacterium Lyngbya majuscula. Organic & Biomolecular Chemistry 2004 2 (14) 2092-2102. DOI: 10.1039/b404205k PMID: 15254638 | ||
|---|---|---|---|
| CITATION 2 | White JD; Lee CS; Xu Q Total synthesis of (+)-kalkitoxin. Chemical Communications 2003 (16) 2012-2013. DOI: 10.1039/B306124H PMID: 12934887 | ||
