Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00011437817 | Gold | 3 |
| CCMSLIB00005729973 | Gold | 3 |
| CCMSLIB00005730136 | Gold | 3 |
| CCMSLIB00005731080 | Gold | 3 |
| CCMSLIB00005731268 | Gold | 3 |
| CCMSLIB00005731312 | Gold | 3 |
| CCMSLIB00005731334 | Gold | 3 |
| CCMSLIB00005731715 | Gold | 3 |
| CCMSLIB00005732793 | Gold | 3 |
| CCMSLIB00005732970 | Gold | 3 |
| CCMSLIB00005733517 | Gold | 3 |
| CCMSLIB00005734949 | Gold | 3 |
| CCMSLIB00005735186 | Gold | 3 |
| CCMSLIB00005735217 | Gold | 3 |
| CCMSLIB00005735241 | Gold | 3 |
| CCMSLIB00005736205 | Gold | 3 |
COMPOUND NPA001005
PROPERTIES
| NPAID | NPA001005 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin A |
| FORMULA | C44H57N7O10 |
| MOLECULAR WEIGHT (Da) | 843.9790 |
| ACCURATE MASS (Da) | 843.4167 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | flosaquae NRC 525-17 |
| InChIKey | JWVKNHDSRADFFA-IFWSNWNESA-N |
| InChI | InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1 |
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C)CCC2=CC=C(C=C2)O)C(C)C)NC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)CC4=CC=CC=C4 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Harada, Ken-Ichi; Fujii, Kiyonaga; Shimada, Takayuki; Suzuki, Makoto; Sano, Hiroshi; Adachi, Kyoko; Carmichael, Wayne W. Two cyclic peptides, anabaenopeptins, a third group of bioactive compounds from the cyanobacterium Anabaena flosaquae NRC 525-17 Tetrahedron Letters 1995 36 (9) 1511-1514. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4039(95)00073-l | PMID | - |
