Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005436288 | Gold | 3 |
COMPOUND NPA009195
PROPERTIES
| NPAID | NPA009195 |
|---|---|
| CLUSTER ID | 283 |
| NODE ID | 257 |
| NAME | Aeruginosin 98-B |
| FORMULA | C29H46N6O9S |
| MOLECULAR WEIGHT (Da) | 654.7870 |
| ACCURATE MASS (Da) | 654.3047 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa (NIES-98) |
| InChIKey | WZVRXEOKWMIDDV-APHGSVRASA-N |
| InChI | InChI=1S/C29H46N6O9S/c1-3-17(2)25(34-27(39)24(37)14-18-6-9-20(36)10-7-18)28(40)35-22-16-21(44-45(41,42)43)11-8-19(22)15-23(35)26(38)32-12-4-5-13-33-29(30)31/h6-7,9-10,17,19,21-25,36-37H,3-5,8,11-16H2,1-2H3,(H,32,38)(H,34,39)(H4,30,31,33)(H,41,42,43)/t17-,19?,21?,22?,23?,24?,25-/m1/s1 |
| SMILES | CC[C@@H](C)[C@H](C(=O)N1C2CC(CCC2CC1C(=O)NCCCCN=C(N)N)OS(=O)(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Murakami, Masahiro; Ishida, Keishi; Okino, Tatsufumi; Okita, Yuji; Matsuda, Hisashi; Yamaguchi, Katsumi Aeruginosins 98-A and B, Trypsin Inhibitors from the Blue-Green Alga Microcystis aeruginosa (NIES-98) Tetrahedron Letters 1995 36 (16) 2785-2788. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4039(95)00396-t | PMID | - |
