Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028899
PROPERTIES
| NPAID | NPA028899 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin SA4 |
| FORMULA | C44H65N9O9 |
| MOLECULAR WEIGHT (Da) | 864.0580 |
| ACCURATE MASS (Da) | 863.4905 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. |
| InChIKey | JSOIQLMWACYOFN-UFKBWYCDSA-N |
| InChI | InChI=1S/C44H65N9O9/c1-4-28(2)37-41(58)48-32(23-15-20-29-16-7-5-8-17-29)42(59)53(3)35(27-36(46)54)40(57)49-34(26-30-18-9-6-10-19-30)38(55)47-25-14-12-21-31(39(56)52-37)50-44(62)51-33(43(60)61)22-11-13-24-45/h5-10,16-19,28,31-35,37H,4,11-15,20-27,45H2,1-3H3,(H2,46,54)(H,47,55)(H,48,58)(H,49,57)(H,52,56)(H,60,61)(H2,50,51,62)/t28?,31-,32+,33+,34+,35+,37+/m1/s1 |
| SMILES | CCC(C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(=O)O)CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCCC2=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 |
