Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014095
PROPERTIES
| NPAID | NPA014095 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin NZ841 |
| FORMULA | C45H59N7O9 |
| MOLECULAR WEIGHT (Da) | 842.0070 |
| ACCURATE MASS (Da) | 841.4374 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | SYWACJBJVZMIAB-FVGXMBITSA-N |
| InChI | InChI=1S/C45H59N7O9/c1-4-29(2)39-42(57)48-36(25-21-31-18-22-33(53)23-19-31)43(58)52(3)28-38(54)47-35(24-20-30-13-7-5-8-14-30)40(55)46-26-12-11-17-34(41(56)51-39)49-45(61)50-37(44(59)60)27-32-15-9-6-10-16-32/h5-10,13-16,18-19,22-23,29,34-37,39,53H,4,11-12,17,20-21,24-28H2,1-3H3,(H,46,55)(H,47,54)(H,48,57)(H,51,56)(H,59,60)(H2,49,50,61)/t29-,34-,35+,36+,37+,39+/m1/s1 |
| SMILES | CC[C@@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)CCCCNC(=O)[C@H](CCC2=CC=CC=C2)NC(=O)CN(C)C(=O)[C@H](CCC2=CC=C(O)C=C2)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Grach-Pogrebinsky, Olga; Carmeli, Shmuel Three novel anabaenopeptins from the cyanobacterium Anabaena sp Tetrahedron 2008 64 (44) 10233-10238. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2008.08.015 | PMID | - |
