Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010779
PROPERTIES
| NPAID | NPA010779 |
|---|---|
| CLUSTER ID | 283 |
| NODE ID | 257 |
| NAME | Aeruginosin EI461 |
| FORMULA | C24H35N3O6 |
| MOLECULAR WEIGHT (Da) | 461.5590 |
| ACCURATE MASS (Da) | 461.2526 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | FEBDAAYWFMTVBF-HYMUMSMOSA-N |
| InChI | InChI=1S/C24H35N3O6/c1-13(2)9-18(26-23(32)21(30)10-14-3-6-16(28)7-4-14)24(33)27-19-12-17(29)8-5-15(19)11-20(27)22(25)31/h3-4,6-7,13,15,17-21,28-30H,5,8-12H2,1-2H3,(H2,25,31)(H,26,32)/t15-,17-,18-,19-,20+,21+/m1/s1 |
| SMILES | CC(C)C[C@@H](NC(=O)[C@@H](O)CC1=CC=C(O)C=C1)C(=O)N1[C@@H]2C[C@H](O)CC[C@@H]2C[C@H]1C(N)=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ploutno, Alexei; Shoshan, Maria; Carmeli, Shmuel Three novel protease inhibitors from a natural bloom of the cyanobacterium Microcystis aeruginosa Journal of Natural Products 2002 65 (7) 973-978. | ||
|---|---|---|---|
| DOI | 10.1021/np010597b | PMID | 12141855 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC(C)C[C@H](C(=O)N1[C@@H]2C[C@@H](CC[C@@H]2C[C@@H]1C(=O)N)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)O | Ploutno, Alexei; Shoshan, Maria; Carmeli, Shmuel Three novel protease inhibitors from a natural bloom of the cyanobacterium Microcystis aeruginosa Journal of Natural Products 2002 65 (7) 973-978. DOI: 10.1021/np010597b PMID: 12141855 | ||
| 2 | CC(C)C[C@@H](NC(=O)[C@@H](O)CC1=CC=C(O)C=C1)C(=O)N1[C@@H]2C[C@H](O)CC[C@@H]2C[C@H]1C(N)=O | Valls, Nativitat; Vallribera, Mercè; Carmeli, Shmuel; Bonjoch, Josep Syntheses of both the putative and revised structures of aeruginosin EI461 bearing a new bicyclic alpha-amino acid. Organic Letters 2003 5 (4) 447-50. DOI: 10.1021/ol0273250 PMID: 12583740 | ||
