Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028903
PROPERTIES
| NPAID | NPA028903 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin SA8 |
| FORMULA | C45H66N8O9 |
| MOLECULAR WEIGHT (Da) | 863.0700 |
| ACCURATE MASS (Da) | 862.4953 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. |
| InChIKey | JLWBGMDBXPZRMZ-USASGOJWSA-N |
| InChI | InChI=1S/C45H66N8O9/c1-6-28(3)37-42(58)48-33(24-15-14-20-30-18-10-8-11-19-30)43(59)53(5)35(27-36(46)54)41(57)49-34(26-31-21-12-9-13-22-31)39(55)47-25-17-16-23-32(40(56)51-37)50-45(62)52-38(44(60)61)29(4)7-2/h8-13,18-19,21-22,28-29,32-35,37-38H,6-7,14-17,20,23-27H2,1-5H3,(H2,46,54)(H,47,55)(H,48,58)(H,49,57)(H,51,56)(H,60,61)(H2,50,52,62)/t28-,29+,32+,33-,34-,35-,37+,38-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)[C@H](C)CC)CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCCCC2=CC=CC=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 |
