Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028901
PROPERTIES
| NPAID | NPA028901 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin SA6 |
| FORMULA | C43H62N8O9 |
| MOLECULAR WEIGHT (Da) | 835.0160 |
| ACCURATE MASS (Da) | 834.4640 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. |
| InChIKey | CSCVQSXGGVJLJI-KEXVFTQYSA-N |
| InChI | InChI=1S/C43H62N8O9/c1-6-26(3)35-40(56)46-31(22-21-28-16-10-8-11-17-28)41(57)51(5)33(25-34(44)52)39(55)47-32(24-29-18-12-9-13-19-29)37(53)45-23-15-14-20-30(38(54)49-35)48-43(60)50-36(42(58)59)27(4)7-2/h8-13,16-19,26-27,30-33,35-36H,6-7,14-15,20-25H2,1-5H3,(H2,44,52)(H,45,53)(H,46,56)(H,47,55)(H,49,54)(H,58,59)(H2,48,50,60)/t26-,27-,30-,31+,32+,33+,35+,36+/m1/s1 |
| SMILES | CC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCC2=CC=CC=C2)NC(=O)[C@H]([C@H](C)CC)NC1=O)C(=O)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 |
