Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000579932 | Bronze | Massetolide&E |
| CCMSLIB00000577864 | Gold | 3 |
COMPOUND NPA005194
PROPERTIES
| NPAID | NPA005194 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Massetolide E |
| FORMULA | C53H93N9O16 |
| MOLECULAR WEIGHT (Da) | 1112.3740 |
| ACCURATE MASS (Da) | 1111.6740 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. |
| InChIKey | GUMIALLQHODSIG-AQCLPQFOSA-N |
| InChI | InChI=1S/C53H93N9O16/c1-13-14-15-16-17-18-33(65)24-40(66)54-35(21-27(2)3)46(70)55-34(19-20-41(67)68)45(69)62-44-32(12)78-53(77)43(31(10)11)61-50(74)39(26-64)59-47(71)36(22-28(4)5)56-49(73)38(25-63)58-48(72)37(23-29(6)7)57-51(75)42(30(8)9)60-52(44)76/h27-39,42-44,63-65H,13-26H2,1-12H3,(H,54,66)(H,55,70)(H,56,73)(H,57,75)(H,58,72)(H,59,71)(H,60,76)(H,61,74)(H,62,69)(H,67,68)/t32?,33-,34+,35-,36-,37-,38+,39+,42+,43-,44+/m0/s1 |
| SMILES | CCCCCCC[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]1C(OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C(C)C)CC(C)C)CO)CC(C)C)CO)C(C)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gerard, Jeff; Lloyd, Richard; Barsby, Todd; Haden, Paul; Kelly, Michael T.; Andersen, Raymond J. Massetolides A-H, Antimycobacterial Cyclic Depsipeptides Produced by Two Pseudomonads Isolated from Marine Habitats Journal of Natural Products 1997 60 (3) 223-229. | ||
|---|---|---|---|
| DOI | 10.1021/np9606456 | PMID | 9157190 |
