Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028868
PROPERTIES
| NPAID | NPA028868 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Piricyclamide 7005E3 |
| FORMULA | C56H78N14O20S |
| MOLECULAR WEIGHT (Da) | 1299.3850 |
| ACCURATE MASS (Da) | 1298.5238 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa NIES843 |
| InChIKey | PNRDFSRRPWPQQW-USHKVLGESA-N |
| InChI | InChI=1S/C56H78N14O20S/c1-28(73)46-56(90)59-24-43(77)61-39(27-72)54(88)66-36(22-30-10-12-31(74)13-11-30)52(86)68-38(26-71)47(81)60-25-44(78)70-19-6-9-40(70)55(89)67-37(23-42(58)76)53(87)63-33(15-17-45(79)80)48(82)65-35(21-29-7-4-3-5-8-29)51(85)64-34(18-20-91-2)49(83)62-32(50(84)69-46)14-16-41(57)75/h3-5,7-8,10-13,28,32-40,46,71-74H,6,9,14-27H2,1-2H3,(H2,57,75)(H2,58,76)(H,59,90)(H,60,81)(H,61,77)(H,62,83)(H,63,87)(H,64,85)(H,65,82)(H,66,88)(H,67,89)(H,68,86)(H,69,84)(H,79,80)/t28-,32+,33-,34+,35+,36+,37+,38+,39+,40+,46+/m1/s1 |
| SMILES | CSCC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC1=O |
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 |
