Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024414
PROPERTIES
| NPAID | NPA024414 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Sunshinamide |
| FORMULA | C25H35N3O5S2 |
| MOLECULAR WEIGHT (Da) | 521.7050 |
| ACCURATE MASS (Da) | 521.2018 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Gynuella |
| ORIGIN SPECIES | sunshinyii |
| InChIKey | KFYDPFIYPBXQLG-CGXNFDGLSA-N |
| InChI | InChI=1S/C25H35N3O5S2/c1-2-3-4-5-9-12-18-14-22(29)26-19(13-17-10-7-6-8-11-17)23(30)27-20-15-34-35-16-21(25(32)33-18)28-24(20)31/h6-8,10-11,18-21H,2-5,9,12-16H2,1H3,(H,26,29)(H,27,30)(H,28,31)/t18-,19-,20+,21+/m1/s1 |
| SMILES | CCCCCCC[C@@H]1CC(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@H]2CSSC[C@H](NC2=O)C(=O)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ueoka, Reiko; Bhushan, Agneya; Probst, Silke I.; Bray, Walter M.; Lokey, R. Scott; Linington, Roger G.; Piel, Jörn Genome-Based Identification of a Plant-Associated Marine Bacterium as a Rich Natural Product Source Angewandte Chemie International Edition 2018 57 (44) 14519-14523. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201805673 | PMID | 30025185 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCCCCCCC1CC(=O)N[C@@H](C(=O)N[C@H]2CSSC[C@@H](C(=O)O1)NC2=O)CC3=CC=CC=C3 | Ueoka, Reiko; Bhushan, Agneya; Probst, Silke I.; Bray, Walter M.; Lokey, R. Scott; Linington, Roger G.; Piel, Jörn Genome-Based Identification of a Plant-Associated Marine Bacterium as a Rich Natural Product Source Angewandte Chemie International Edition 2018 57 (44) 14519-14523. DOI: 10.1002/anie.201805673 PMID: 30025185 | ||
| 2 | CCCCCCC[C@@H]1CC(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@H]2CSSC[C@H](NC2=O)C(=O)O1 | Mondal, Joyanta; Sarkar, Ruma; Sen, Prosenjit; Goswami, Rajib Kumar Total Synthesis and Stereochemical Assignment of Sunshinamide and Its Anticancer Activity. Organic Letters 2020 22 (3) 1188-1192. DOI: 10.1021/acs.orglett.0c00070 PMID: 31965806 | ||
