Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028872
PROPERTIES
| NPAID | NPA028872 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Piricyclamide ILGEGEGWNYNP |
| FORMULA | C61H83N15O19 |
| MOLECULAR WEIGHT (Da) | 1330.4210 |
| ACCURATE MASS (Da) | 1329.5990 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa NIES843 |
| InChIKey | VXLIRYSYDRDOHA-NXXCQYBTSA-N |
| InChI | InChI=1S/C61H83N15O19/c1-5-31(4)52-60(94)73-39(21-30(2)3)55(89)67-28-48(81)69-37(16-18-50(83)84)53(87)65-27-47(80)68-38(17-19-51(85)86)54(88)66-29-49(82)70-41(23-33-26-64-36-10-7-6-9-35(33)36)57(91)72-42(24-45(62)78)58(92)71-40(22-32-12-14-34(77)15-13-32)56(90)74-43(25-46(63)79)61(95)76-20-8-11-44(76)59(93)75-52/h6-7,9-10,12-15,26,30-31,37-44,52,64,77H,5,8,11,16-25,27-29H2,1-4H3,(H2,62,78)(H2,63,79)(H,65,87)(H,66,88)(H,67,89)(H,68,80)(H,69,81)(H,70,82)(H,71,92)(H,72,91)(H,73,94)(H,74,90)(H,75,93)(H,83,84)(H,85,86)/t31-,37-,38-,39-,40-,41-,42-,43-,44-,52-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC2=C[NH]C3=CC=CC=C23)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)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 |
