Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006610
PROPERTIES
| NPAID | NPA006610 |
|---|---|
| CLUSTER ID | 416 |
| NODE ID | 375 |
| NAME | Anabaenopeptin 915 |
| FORMULA | C48H65N7O11 |
| MOLECULAR WEIGHT (Da) | 916.0860 |
| ACCURATE MASS (Da) | 915.4742 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planktothrix |
| ORIGIN SPECIES | planktothrix agardhii CYA 126/8 |
| InChIKey | KWDLKNNQGMAHJR-HBWVXJRASA-N |
| InChI | InChI=1S/C48H65N7O11/c1-6-29(4)41-44(61)49-26-8-7-9-36(51-48(66)52-38(47(64)65)27-32-14-22-35(58)23-15-32)42(59)53-40(28(2)3)45(62)50-37(24-16-30-10-18-33(56)19-11-30)46(63)55(5)39(43(60)54-41)25-17-31-12-20-34(57)21-13-31/h10-15,18-23,28-29,36-41,56-58H,6-9,16-17,24-27H2,1-5H3,(H,49,61)(H,50,62)(H,53,59)(H,54,60)(H,64,65)(H2,51,52,66)/t29-,36+,37-,38-,39-,40-,41-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)CCC2=CC=C(C=C2)O)C)CCC3=CC=C(C=C3)O)C(C)C)NC(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Okumura, Hilary S; Philmus, Benjamin; Portmann, Cyril; Hemscheidt, Thomas K Homotyrosine-containing cyanopeptolins 880 and 960 and anabaenopeptins 908 and 915 from Planktothrix agardhii CYA 126/8 Journal of Natural Products 2009 72 (1) 172-176. | ||
|---|---|---|---|
| DOI | 10.1021/np800557m | PMID | 19115837 |
