Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028867
PROPERTIES
| NPAID | NPA028867 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Piricyclamide 7005E2 |
| FORMULA | C71H112N20O18 |
| MOLECULAR WEIGHT (Da) | 1533.7990 |
| ACCURATE MASS (Da) | 1532.8463 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa NIES843 |
| InChIKey | PNRKJHCHLDBNFZ-UOFFNAEQSA-N |
| InChI | InChI=1S/C71H112N20O18/c1-10-37(6)56-67(106)87-47(29-36(4)5)63(102)84-46(28-35(2)3)61(100)79-38(7)58(97)83-50(32-55(95)96)59(98)78-34-54(94)88-57(40(9)92)68(107)82-45(21-15-25-76-71(74)75)70(109)91-27-17-23-52(91)65(104)81-44(20-13-14-24-72)60(99)85-49(31-53(73)93)62(101)80-39(8)69(108)90-26-16-22-51(90)66(105)86-48(64(103)89-56)30-41-33-77-43-19-12-11-18-42(41)43/h11-12,18-19,33,35-40,44-52,56-57,77,92H,10,13-17,20-32,34,72H2,1-9H3,(H2,73,93)(H,78,98)(H,79,100)(H,80,101)(H,81,104)(H,82,107)(H,83,97)(H,84,102)(H,85,99)(H,86,105)(H,87,106)(H,88,94)(H,89,103)(H,95,96)(H4,74,75,76)/t37-,38-,39-,40+,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=C[NH]C3=CC=CC=C23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=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 |
