Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028772
PROPERTIES
| NPAID | NPA028772 |
|---|---|
| CLUSTER ID | 283 |
| NODE ID | 257 |
| NAME | Aeruginosin 848 |
| FORMULA | C41H64N6O13 |
| MOLECULAR WEIGHT (Da) | 848.9920 |
| ACCURATE MASS (Da) | 848.4531 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. |
| InChIKey | SCMZCDOVEOBXKC-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64N6O13/c1-4-5-7-14-31(49)58-29-20-24-19-27(36(53)44-15-10-11-16-45-41(42)43)47(26(24)21-30(29)59-40-34(52)32(50)33(51)35(60-40)39(56)57)38(55)25(17-22(2)3)46-37(54)28(48)18-23-12-8-6-9-13-23/h6,8-9,12-13,22,24-30,32-35,40,48,50-52H,4-5,7,10-11,14-21H2,1-3H3,(H,44,53)(H,46,54)(H,56,57)(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=CC=C3)C2CC1OC1OC(C(=O)O)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 |
