Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028904
PROPERTIES
| NPAID | NPA028904 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin SA9 |
| FORMULA | C45H58ClN7O9 |
| MOLECULAR WEIGHT (Da) | 876.4520 |
| ACCURATE MASS (Da) | 875.3985 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. |
| InChIKey | LUFQICSUKUWVRP-MNARVTDESA-N |
| InChI | InChI=1S/C45H58ClN7O9/c1-4-28(2)39-42(58)49-35(22-19-31-20-23-37(54)32(46)25-31)43(59)53(3)27-38(55)48-34(21-18-29-13-7-5-8-14-29)40(56)47-24-12-11-17-33(41(57)52-39)50-45(62)51-36(44(60)61)26-30-15-9-6-10-16-30/h5-10,13-16,20,23,25,28,33-36,39,54H,4,11-12,17-19,21-22,24,26-27H2,1-3H3,(H,47,56)(H,48,55)(H,49,58)(H,52,57)(H,60,61)(H2,50,51,62)/t28-,33-,34+,35+,36+,39?/m1/s1 |
| SMILES | CC[C@@H](C)C1NC(=O)[C@H](NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)CCCCNC(=O)[C@H](CCC2=CC=CC=C2)NC(=O)CN(C)C(=O)[C@H](CCC2=CC(Cl)=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 |
