Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003489
PROPERTIES
| NPAID | NPA003489 |
|---|---|
| CLUSTER ID | 283 |
| NODE ID | 257 |
| NAME | Aeruginosin 102 A |
| FORMULA | C33H44N6O11S |
| MOLECULAR WEIGHT (Da) | 732.8130 |
| ACCURATE MASS (Da) | 732.2789 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | GIQUSRUOIKSAJD-HFWDDYMOSA-N |
| InChI | InChI=1S/C33H44N6O11S/c34-33(35)38-13-1-2-24(31(38)45)36-29(43)27-16-20-7-10-22(41)17-26(20)39(27)32(46)25(14-18-3-8-21(40)9-4-18)37-30(44)28(42)15-19-5-11-23(12-6-19)50-51(47,48)49/h3-6,8-9,11-12,20,22,24-28,31,40-42,45H,1-2,7,10,13-17H2,(H3,34,35)(H,36,43)(H,37,44)(H,47,48,49)/t20?,22?,24-,25+,26?,27?,28+,31?/m0/s1 |
| SMILES | C1C[C@@H](C(N(C1)C(=N)N)O)NC(=O)C2CC3CCC(CC3N2C(=O)[C@@H](CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=C(C=C5)OS(=O)(=O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Matsuda, Hisashi; Okino, Tatsufumi; Murakami, Masahiro; Yamaguchi, Katsumi Aeruginosins 102-A and B, new thrombin inhibitors from the cyanobacterium Microcystis viridis (NIES-102) Tetrahedron 1996 52 (46) 14501-14506. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4020(96)00890-3 | PMID | - |
