Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577815 | Gold | 3 |
COMPOUND NPA013218
PROPERTIES
| NPAID | NPA013218 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Planktocyclin |
| FORMULA | C39H60N8O8S |
| MOLECULAR WEIGHT (Da) | 801.0240 |
| ACCURATE MASS (Da) | 800.4255 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planktothrix |
| ORIGIN SPECIES | rubescens |
| InChIKey | ZMRRRONVXWEVSB-ODNAPOIPSA-N |
| InChI | InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1 |
| SMILES | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)C(C)C)CC3=CC=CC=C3)CCSC)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Baumann, Heike I.; Keller, Simone; Wolter, Falko E.; Nicholson, Graeme J.; Jung, Guenther; Suessmuth, Roderich D.; Juettner, Friedrich Planktocyclin, a cyclooctapeptide protease inhibitor produced by the freshwater cyanobacterium Planktothrix rubescens Journal of Natural Products 2007 70 (10) 1611-1615. | ||
|---|---|---|---|
| DOI | 10.1021/np0700873 | PMID | 17935298 |
