Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000081213 | Bronze | Massetolide&A&(WLIP/Viscosin/Massetolide&molecular&family) |
| CCMSLIB00000577546 | Gold | 3 |
COMPOUND NPA001118
PROPERTIES
| NPAID | NPA001118 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Massetolide A |
| FORMULA | C55H97N9O16 |
| MOLECULAR WEIGHT (Da) | 1140.4280 |
| ACCURATE MASS (Da) | 1139.7053 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. |
| InChIKey | JAYJEXYYCNLGOQ-FFHBUIIJSA-N |
| InChI | InChI=1S/C55H97N9O16/c1-13-16-17-18-19-20-35(67)26-42(68)56-37(23-29(4)5)48(72)57-36(21-22-43(69)70)47(71)64-46-34(12)80-55(79)45(33(11)15-3)63-52(76)41(28-66)61-49(73)38(24-30(6)7)58-51(75)40(27-65)60-50(74)39(25-31(8)9)59-53(77)44(32(10)14-2)62-54(46)78/h29-41,44-46,65-67H,13-28H2,1-12H3,(H,56,68)(H,57,72)(H,58,75)(H,59,77)(H,60,74)(H,61,73)(H,62,78)(H,63,76)(H,64,71)(H,69,70)/t32?,33?,34?,35-,36?,37?,38?,39?,40?,41?,44?,45?,46?/m1/s1 |
| SMILES | CCCCCCC[C@H](CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)CC)CC(C)C)CO)CC(C)C)CO)C(C)CC)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 |
