Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027364
PROPERTIES
| NPAID | NPA027364 |
|---|---|
| CLUSTER ID | 8260 |
| NODE ID | 5611 |
| NAME | Somocystinamide A |
| FORMULA | C42H70N4O4S2 |
| MOLECULAR WEIGHT (Da) | 759.1800 |
| ACCURATE MASS (Da) | 758.4838 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. |
| InChIKey | UJORQZOJHPJQER-GYHVPXIPSA-N |
| InChI | InChI=1S/C42H70N4O4S2/c1-7-9-27-33-45(5)41(49)31-25-21-17-13-11-15-19-23-29-39(43-37(3)47)35-51-52-36-40(44-38(4)48)30-24-20-16-12-14-18-22-26-32-42(50)46(6)34-28-10-8-2/h7-8,23-24,27-30,33-34,39-40H,1-2,9-22,25-26,31-32,35-36H2,3-6H3,(H,43,47)(H,44,48)/b29-23+,30-24+,33-27+,34-28+/t39-,40?/m1/s1 |
| SMILES | C=CC/C=C/N(C)C(=O)CCCCCCCC/C=C/C(CSSC[C@@H](/C=C/CCCCCCCCC(=O)N(C)/C=C/CC=C)NC(C)=O)NC(C)=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Nogle LM; Gerwick WH Somocystinamide A, a novel cytotoxic disulfide dimer from a Fijian marine cyanobacterial mixed assemblage. Organic Letters 2002 4 (7) 1095-1098. | ||
|---|---|---|---|
| DOI | 10.1021/ol017275j | PMID | 11922791 |
