Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028866
PROPERTIES
| NPAID | NPA028866 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Piricyclamide 7005E1-M(O) |
| FORMULA | C56H78N10O16S |
| MOLECULAR WEIGHT (Da) | 1179.3610 |
| ACCURATE MASS (Da) | 1178.5318 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa NIES843 |
| InChIKey | GTLMUNVPVPGMMM-BHZAYHJKSA-N |
| InChI | InChI=1S/C56H78N10O16S/c1-31(2)9-7-10-33(5)20-23-82-37-18-14-35(15-19-37)26-39-51(75)60-40(25-34-12-16-36(68)17-13-34)52(76)63-42(27-45(57)69)56(80)66-22-8-11-44(66)54(78)59-38(21-24-83(6)81)50(74)64-43(30-67)49(73)58-29-46(70)65-48(32(3)4)55(79)62-41(28-47(71)72)53(77)61-39/h9,12-20,32,38-44,48,67-68H,7-8,10-11,21-30H2,1-6H3,(H2,57,69)(H,58,73)(H,59,78)(H,60,75)(H,61,77)(H,62,79)(H,63,76)(H,64,74)(H,65,70)(H,71,72)/b33-20-/t38-,39-,40-,41-,42-,43-,44-,48-,83?/m0/s1 |
| SMILES | CC(C)=CCC/C(C)=C\COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCS(C)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC2=O)C=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Leikoski N; Fewer DP; Jokela J; Alakoski P; Wahlsten M; Sivonen K Analysis of an inactive cyanobactin biosynthetic gene cluster leads to discovery of new natural products from strains of the genus Microcystis. PLoS One 2012 7 (8) e43002. | ||
|---|---|---|---|
| DOI | 10.1371/journal.pone.0043002 | PMID | 22952627 |
