Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028898
PROPERTIES
| NPAID | NPA028898 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin SA3 |
| FORMULA | C42H62N8O9 |
| MOLECULAR WEIGHT (Da) | 823.0050 |
| ACCURATE MASS (Da) | 822.4640 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. |
| InChIKey | VXDTUDXDNVURTN-RXEGNQFLSA-N |
| InChI | InChI=1S/C42H62N8O9/c1-5-26(2)35-39(55)45-32(22-19-28-17-20-30(51)21-18-28)40(56)50(4)27(3)36(52)46-34(25-29-13-7-6-8-14-29)37(53)44-24-12-10-15-31(38(54)49-35)47-42(59)48-33(41(57)58)16-9-11-23-43/h6-8,13-14,17-18,20-21,26-27,31-35,51H,5,9-12,15-16,19,22-25,43H2,1-4H3,(H,44,53)(H,45,55)(H,46,52)(H,49,54)(H,57,58)(H2,47,48,59)/t26-,27-,31+,32-,33-,34-,35+/m0/s1 |
| SMILES | CC[C@H](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](C)N(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 |
