Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001577 | Gold | 1 |
| CCMSLIB00000006875 | Gold | 1 |
COMPOUND NPA027450
PROPERTIES
| NPAID | NPA027450 |
|---|---|
| CLUSTER ID | 8271 |
| NODE ID | 5621 |
| NAME | Carmaphycin B |
| FORMULA | C25H45N3O7S |
| MOLECULAR WEIGHT (Da) | 531.7160 |
| ACCURATE MASS (Da) | 531.2978 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Symploca |
| ORIGIN SPECIES | sp. |
| InChIKey | ODAZGDXFSFEAAA-SHNDDRJUSA-N |
| InChI | InChI=1S/C25H45N3O7S/c1-8-9-10-11-20(29)28-21(17(4)5)24(32)26-18(12-13-36(7,33)34)23(31)27-19(14-16(2)3)22(30)25(6)15-35-25/h16-19,21H,8-15H2,1-7H3,(H,26,32)(H,27,31)(H,28,29)/t18-,19-,21-,25+/m0/s1 |
| SMILES | CCCCCC(=O)N[C@H](C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pereira AR; Kale AJ; Fenley AT; Byrum T; Debonsi HM; Gilson MK; Valeriote FA; Moore BS; Gerwick WH The carmaphycins: new proteasome inhibitors exhibiting an α,β-epoxyketone warhead from a marine cyanobacterium. ChemBioChem 2012 13 (6) 810-817. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.201200007 | PMID | 22383253 |
