Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028773
PROPERTIES
| NPAID | NPA028773 |
|---|---|
| CLUSTER ID | 283 |
| NODE ID | 257 |
| NAME | Aeruginosin 822 |
| FORMULA | C39H62N6O13 |
| MOLECULAR WEIGHT (Da) | 822.9540 |
| ACCURATE MASS (Da) | 822.4375 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. |
| InChIKey | HQWLBDUIMYDJHD-UHFFFAOYSA-N |
| InChI | InChI=1S/C39H62N6O13/c1-4-7-31(49)56-28-17-22-16-26(35(53)42-12-5-6-13-43-39(40)41)45(25(22)18-29(28)57-38-34(52)33(51)32(50)30(19-46)58-38)37(55)24(14-20(2)3)44-36(54)27(48)15-21-8-10-23(47)11-9-21/h8-11,20,22,24-30,32-34,38,46-48,50-52H,4-7,12-19H2,1-3H3,(H,42,53)(H,44,54)(H4,40,41,43) |
| SMILES | CCCC(=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 |
