Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028895
PROPERTIES
| NPAID | NPA028895 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin SA12 |
| FORMULA | C44H57N7O10 |
| MOLECULAR WEIGHT (Da) | 843.9790 |
| ACCURATE MASS (Da) | 843.4167 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. |
| InChIKey | AKTQIVLQGNQCFP-BEJGRMFCSA-N |
| InChI | InChI=1S/C44H57N7O10/c1-27(2)38-41(57)47-35(23-17-29-14-20-32(53)21-15-29)42(58)51(3)26-37(54)46-34(22-16-28-12-18-31(52)19-13-28)39(55)45-24-8-7-11-33(40(56)50-38)48-44(61)49-36(43(59)60)25-30-9-5-4-6-10-30/h4-6,9-10,12-15,18-21,27,33-36,38,52-53H,7-8,11,16-17,22-26H2,1-3H3,(H,45,55)(H,46,54)(H,47,57)(H,50,56)(H,59,60)(H2,48,49,61)/t33-,34+,35+,36+,38+/m1/s1 |
| SMILES | CC(C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)CCCCNC(=O)[C@H](CCC2=CC=C(O)C=C2)NC(=O)CN(C)C(=O)[C@H](CCC2=CC=C(O)C=C2)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Schreuder H; Liesum A; Lönze P; Stump H; Hoffmann H; Schiell M; Kurz M; Toti L; Bauer A; Kallus C; Klemke-Jahn C; Czech J; Kramer D; Enke H; Niedermeyer THJ; Morrison V; Kumar V; Brönstrup M Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa). Scientific Reports 2016 6 32958. | ||
|---|---|---|---|
| DOI | 10.1038/srep32958 | PMID | 27604544 |
