Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022446
PROPERTIES
| NPAID | NPA022446 |
|---|---|
| CLUSTER ID | 561 |
| NODE ID | 500 |
| NAME | Thalassosamide |
| FORMULA | C42H66N6O21 |
| MOLECULAR WEIGHT (Da) | 991.0110 |
| ACCURATE MASS (Da) | 990.4281 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Thalassospira |
| ORIGIN SPECIES | profundimaris |
| InChIKey | UQRIZEBFHSXLEZ-VHNXJUCRSA-N |
| InChI | InChI=1S/C42H66N6O21/c1-25-22-34(52)46(64)19-7-5-11-29(44-32(50)14-17-38(57)58)41(62)68-27(3)24-36(54)48(66)21-9-6-12-30(45-33(51)15-18-39(59)60)42(63)69-26(2)23-35(53)47(65)20-8-4-10-28(40(61)67-25)43-31(49)13-16-37(55)56/h25-30,64-66H,4-24H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,55,56)(H,57,58)(H,59,60)/t25-,26-,27-,28-,29-,30-/m1/s1 |
| SMILES | C[C@@H]1CC(=O)N(CCCC[C@H](C(=O)O[C@@H](CC(=O)N(CCCC[C@H](C(=O)O[C@@H](CC(=O)N(CCCC[C@H](C(=O)O1)NC(=O)CCC(=O)O)O)C)NC(=O)CCC(=O)O)O)C)NC(=O)CCC(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, Fan; Barns, Kenneth; Hoffmann, F. Michael; Braun, Doug R.; Andes, David R.; Bugni, Tim S. Thalassosamide, a Siderophore Discovered from the Marine-Derived Bacterium Thalassospira profundimaris Journal of Natural Products 2017 80 (9) 2551-2555. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.7b00328 | PMID | 28840714 |
