Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005435950 | Bronze | Lyngbyatoxin&A&putative&or&close&isomer&M+H |
| CCMSLIB00005435951 | Bronze | Lyngbyatoxin&A&M+H-CO&putative&or&close&isomer |
COMPOUND NPA020374
PROPERTIES
| NPAID | NPA020374 |
|---|---|
| CLUSTER ID | 1027 |
| NODE ID | 885 |
| NAME | Lyngbyatoxin A |
| FORMULA | C27H39N3O2 |
| MOLECULAR WEIGHT (Da) | 437.6280 |
| ACCURATE MASS (Da) | 437.3042 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | majuscula |
| InChIKey | KISDGNGREAJPQR-OICBGKIFSA-N |
| InChI | InChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25-,27-/m0/s1 |
| SMILES | CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C(C=CC(=C23)N1C)[C@](C)(CCC=C(C)C)C=C)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cardellina, JH; Marner, FJ; Moore, RE Seaweed dermatitis: structure of lyngbyatoxin A Science 1979 204 (4389) 193-195. | ||
|---|---|---|---|
| DOI | 10.1126/science.107586 | PMID | 107586 |
