Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004722219 | Bronze | BiseokeaniamideA |
| CCMSLIB00004722220 | Bronze | BiseokeaniamideA |
| CCMSLIB00004722217 | Bronze | BiseokeaniamideA |
| CCMSLIB00005885141 | Gold | 3 |
| CCMSLIB00005885135 | Gold | 3 |
COMPOUND NPA022273
PROPERTIES
| NPAID | NPA022273 |
|---|---|
| CLUSTER ID | 613 |
| NODE ID | 546 |
| NAME | Biseokeaniamide A |
| FORMULA | C42H65N7O6S |
| MOLECULAR WEIGHT (Da) | 796.0920 |
| ACCURATE MASS (Da) | 795.4717 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Okeania |
| ORIGIN SPECIES | sp. |
| InChIKey | XNASEKUWNLNRSN-LMUGUXCZSA-N |
| InChI | InChI=1S/C42H65N7O6S/c1-12-17-35(50)47(10)37(29(6)7)42(55)49-22-16-20-32(49)40(53)46(9)33(25-30-18-14-13-15-19-30)38(51)44-31(24-27(2)3)39(52)48(11)36(28(4)5)41(54)45(8)26-34-43-21-23-56-34/h13-15,18-19,21,23,27-29,31-33,36-37H,12,16-17,20,22,24-26H2,1-11H3,(H,44,51)/t31-,32-,33-,36-,37-/m0/s1 |
| SMILES | CCCC(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)CC3=NC=CS3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Iwasaki, Arihiro; Tadenuma, Takato; Sumimoto, Shimpei; Ohshiro, Taichi; Ozaki, Kaori; Kobayashi, Keisuke; Teruya, Toshiaki; Tomoda, Hiroshi; Suenaga, Kiyotake Biseokeaniamides A, B, and C, Sterol O-Acyltransferase Inhibitors from an Okeania sp. Marine Cyanobacterium Journal of Natural Products 2017 80 (4) 1161-1166. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.7b00137 | PMID | 28294609 |
