Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028893
PROPERTIES
| NPAID | NPA028893 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin SA10 |
| FORMULA | C44H56ClN7O10 |
| MOLECULAR WEIGHT (Da) | 878.4240 |
| ACCURATE MASS (Da) | 877.3777 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. |
| InChIKey | WOIGHBADSHJGAI-JVCFYIMBSA-N |
| InChI | InChI=1S/C44H56ClN7O10/c1-26(2)38-41(58)48-34(20-14-27-12-17-30(53)18-13-27)42(59)52(3)25-37(55)47-33(19-15-29-16-21-36(54)31(45)23-29)39(56)46-22-8-7-11-32(40(57)51-38)49-44(62)50-35(43(60)61)24-28-9-5-4-6-10-28/h4-6,9-10,12-13,16-18,21,23,26,32-35,38,53-54H,7-8,11,14-15,19-20,22,24-25H2,1-3H3,(H,46,56)(H,47,55)(H,48,58)(H,51,57)(H,60,61)(H2,49,50,62)/t32-,33+,34+,35+,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(Cl)=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 |
