Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005133
PROPERTIES
| NPAID | NPA005133 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Agardhipeptin A |
| FORMULA | C43H51N11O7 |
| MOLECULAR WEIGHT (Da) | 833.9510 |
| ACCURATE MASS (Da) | 833.3973 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | RGZSNQSMWRPTNL-XYPUQJIVSA-N |
| InChI | InChI=1S/C43H51N11O7/c1-24(2)14-32-41(59)52-34(17-27-20-44-23-49-27)40(58)48-22-38(56)51-35(16-26-19-46-31-11-6-4-9-29(26)31)43(61)54-13-7-12-36(54)42(60)53-33(39(57)47-21-37(55)50-32)15-25-18-45-30-10-5-3-8-28(25)30/h3-6,8-11,18-20,23-24,32-36,45-46H,7,12-17,21-22H2,1-2H3,(H,44,49)(H,47,57)(H,48,58)(H,50,55)(H,51,56)(H,52,59)(H,53,60)/t32-,33-,34-,35-,36-/m0/s1 |
| SMILES | CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N1)CC3=CNC4=CC=CC=C43)CC5=CNC6=CC=CC=C65)CC7=CN=CN7 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shin, Hee Jae; Matsuda, Hisashi; Murakami, Masahiro; Yamaguchi, Katsumi Agardhipeptins A and B, two new cyclic hepta- and octapeptide, from the cyanobacterium Oscillatoria agardhii (NIES-204) Tetrahedron 1996 52 (41) 13129-13136. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4020(96)00775-2 | PMID | - |
