Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028771
PROPERTIES
| NPAID | NPA028771 |
|---|---|
| CLUSTER ID | 283 |
| NODE ID | 257 |
| NAME | Aeruginosin 850 |
| FORMULA | C41H66N6O13 |
| MOLECULAR WEIGHT (Da) | 851.0080 |
| ACCURATE MASS (Da) | 850.4688 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. |
| InChIKey | RNJJAHMIEZTNON-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66N6O13/c1-4-5-6-9-33(51)58-30-19-24-18-28(37(55)44-14-7-8-15-45-41(42)43)47(27(24)20-31(30)59-40-36(54)35(53)34(52)32(21-48)60-40)39(57)26(16-22(2)3)46-38(56)29(50)17-23-10-12-25(49)13-11-23/h10-13,22,24,26-32,34-36,40,48-50,52-54H,4-9,14-21H2,1-3H3,(H,44,55)(H,46,56)(H4,42,43,45) |
| SMILES | CCCCCC(=O)OC1CC2CC(C(=O)NCCCCN=C(N)N)N(C(=O)C(CC(C)C)NC(=O)C(O)CC3=CC=C(O)C=C3)C2CC1OC1OC(CO)C(O)C(O)C1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sanz M; Andreote AP; Fiore MF; Dörr FA; Pinto E Structural Characterization of New Peptide Variants Produced by Cyanobacteria from the Brazilian Atlantic Coastal Forest Using Liquid Chromatography Coupled to Quadrupole Time-of-Flight Tandem Mass Spectrometry. Marine Drugs 2015 13 (6) 3892-3919. | ||
|---|---|---|---|
| DOI | 10.3390/md13063892 | PMID | 26096276 |
