Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005817
PROPERTIES
| NPAID | NPA005817 |
|---|---|
| CLUSTER ID | 283 |
| NODE ID | 257 |
| NAME | Aeruginosin DA688 |
| FORMULA | C29H45ClN6O9S |
| MOLECULAR WEIGHT (Da) | 689.2320 |
| ACCURATE MASS (Da) | 688.2657 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | QINSXEZKRIOXRD-JDAMQYKPSA-N |
| InChI | InChI=1S/C29H45ClN6O9S/c1-16(2)11-21(35-27(40)25(38)13-17-5-8-24(37)20(30)12-17)28(41)36-22-15-19(45-46(42,43)44)7-6-18(22)14-23(36)26(39)33-9-3-4-10-34-29(31)32/h5,8,12,16,18-19,21-23,25,37-38H,3-4,6-7,9-11,13-15H2,1-2H3,(H,33,39)(H,35,40)(H4,31,32,34)(H,42,43,44)/t18-,19+,21+,22-,23-,25+/m0/s1 |
| SMILES | CC(C)C[C@H](C(=O)N1[C@H]2C[C@@H](CC[C@H]2C[C@H]1C(=O)NCCCCN=C(N)N)OS(=O)(=O)O)NC(=O)[C@@H](CC3=CC(=C(C=C3)O)Cl)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Adiv, Simi; Carmeli, Shmuel Protease inhibitors from Microcystis aeruginosa bloom material collected from the dalton reservoir, israel Journal of Natural Products 2013 76 (12) 2307-2315. | ||
|---|---|---|---|
| DOI | 10.1021/np4006844 | PMID | 24261937 |
