Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028774
PROPERTIES
| NPAID | NPA028774 |
|---|---|
| CLUSTER ID | 283 |
| NODE ID | 257 |
| NAME | Aeruginosin 836 |
| FORMULA | C39H60N6O14 |
| MOLECULAR WEIGHT (Da) | 836.9370 |
| ACCURATE MASS (Da) | 836.4168 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. |
| InChIKey | CGBKZECZSYDECP-UHFFFAOYSA-N |
| InChI | InChI=1S/C39H60N6O14/c1-4-7-29(48)57-27-17-21-16-25(34(52)42-12-5-6-13-43-39(40)41)45(24(21)18-28(27)58-38-32(51)30(49)31(50)33(59-38)37(55)56)36(54)23(14-19(2)3)44-35(53)26(47)15-20-8-10-22(46)11-9-20/h8-11,19,21,23-28,30-33,38,46-47,49-51H,4-7,12-18H2,1-3H3,(H,42,52)(H,44,53)(H,55,56)(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(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 |
