Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001748
PROPERTIES
| NPAID | NPA001748 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Agardhipeptin B |
| FORMULA | C57H69N11O8 |
| MOLECULAR WEIGHT (Da) | 1036.2480 |
| ACCURATE MASS (Da) | 1035.5331 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | GFHJBYMOXXILNJ-UXUZVHTOSA-N |
| InChI | InChI=1S/C57H69N11O8/c1-31(2)24-46-57(76)68-23-13-21-48(68)54(73)62-43(25-34-28-58-40-17-9-6-14-37(34)40)50(69)61-33(5)56(75)67-22-12-20-47(67)53(72)63-45(27-36-30-60-42-19-11-8-16-39(36)42)52(71)66-49(32(3)4)55(74)64-44(51(70)65-46)26-35-29-59-41-18-10-7-15-38(35)41/h6-11,14-19,28-33,43-49,58-60H,12-13,20-27H2,1-5H3,(H,61,69)(H,62,73)(H,63,72)(H,64,74)(H,65,70)(H,66,71)/t33-,43-,44-,45-,46+,47+,48-,49-/m0/s1 |
| SMILES | C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N1)CC4=CNC5=CC=CC=C54)CC(C)C)CC6=CNC7=CC=CC=C76)C(C)C)CC8=CNC9=CC=CC=C98 |
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 | - |
