Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000071751 | Gold | 2 |
| CCMSLIB00012101788 | Gold | 4 |
| CCMSLIB00009941585 | Gold | 4 |
COMPOUND NPA016056
PROPERTIES
| NPAID | NPA016056 |
|---|---|
| CLUSTER ID | 1021 |
| NODE ID | 880 |
| NAME | Aerucyclamide B |
| FORMULA | C24H32N6O4S2 |
| MOLECULAR WEIGHT (Da) | 532.6920 |
| ACCURATE MASS (Da) | 532.1926 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa PCC 7806 |
| InChIKey | JFWABYMXSVHLEW-ZUDVWZRRSA-N |
| InChI | InChI=1S/C24H32N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9-13,17-19H,6-8H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,17-,18+,19-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N1)[C@@H](C)CC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Portmann, Cyril; Blom, Judith F.; Gademann, Karl; Juettner, Friedrich Aerucyclamides A and B: Isolation and synthesis of toxic ribosomal heterocyclic peptides from the cyanobacterium Microcystis aeruginosa PCC 7806 Journal of Natural Products 2008 71 (7) 1193-1196. | ||
|---|---|---|---|
| DOI | 10.1021/np800118g | PMID | 18558743 |
