Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003514
PROPERTIES
| NPAID | NPA003514 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Cyanopeptolin 960 |
| FORMULA | C45H64N6O15S |
| MOLECULAR WEIGHT (Da) | 961.1010 |
| ACCURATE MASS (Da) | 960.4150 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planktothrix |
| ORIGIN SPECIES | agardhii |
| InChIKey | UGFHKRCKPZSIIX-LUSPZTBSSA-N |
| InChI | InChI=1S/C45H64N6O15S/c1-8-25(3)36-45(60)66-27(5)37(49-41(56)34(64-7)24-65-67(61,62)63)42(57)46-31(20-17-28-15-18-30(52)19-16-28)39(54)47-32-21-22-35(53)51(43(32)58)38(26(4)9-2)44(59)50(6)33(40(55)48-36)23-29-13-11-10-12-14-29/h10-16,18-19,25-27,31-38,52-53H,8-9,17,20-24H2,1-7H3,(H,46,57)(H,47,54)(H,48,55)(H,49,56)(H,61,62,63)/t25-,26-,27+,31-,32-,33-,34+,35+,36-,37-,38-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=CC=C3)C)[C@@H](C)CC)O)CCC4=CC=C(C=C4)O)NC(=O)[C@@H](COS(=O)(=O)O)OC)C |
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 |
