Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027419
PROPERTIES
| NPAID | NPA027419 |
|---|---|
| CLUSTER ID | 283 |
| NODE ID | 257 |
| NAME | Aeruginosin NAL3 |
| FORMULA | C32H50N6O6 |
| MOLECULAR WEIGHT (Da) | 614.7880 |
| ACCURATE MASS (Da) | 614.3792 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nodularia |
| ORIGIN SPECIES | spumigena AV1 |
| InChIKey | VXNDIAFIQMKCRY-NOSOXJMZSA-N |
| InChI | InChI=1S/C32H50N6O6/c1-2-3-4-5-6-9-29(42)37-26(17-21-10-13-24(40)14-11-21)31(44)38-27-19-25(41)15-12-22(27)18-28(38)30(43)36-23(20-39)8-7-16-35-32(33)34/h10-11,13-14,20,22-23,25-28,40-41H,2-9,12,15-19H2,1H3,(H,36,43)(H,37,42)(H4,33,34,35)/t22-,23?,25?,26-,27-,28-/m0/s1 |
| SMILES | CCCCCCCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1[C@H](C(=O)NC(C=O)CCCN=C(N)N)C[C@@H]2CCC(O)C[C@@H]21 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fewer DP; Jokela J; Paukku E; Österholm J; Wahlsten M; Permi P; Aitio O; Rouhiainen L; Gomez-Saez GV; Sivonen K New structural variants of aeruginosin produced by the toxic bloom forming cyanobacterium Nodularia spumigena. PLoS One 2013 8 (9) e73618. | ||
|---|---|---|---|
| DOI | 10.1371/journal.pone.0073618 | PMID | 24040002 |
