Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028869
PROPERTIES
| NPAID | NPA028869 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Piricyclamide 7005E4 |
| FORMULA | C61H88N14O18S2 |
| MOLECULAR WEIGHT (Da) | 1369.5890 |
| ACCURATE MASS (Da) | 1368.5842 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa NIES843 |
| InChIKey | XARKTZSFRNJZPJ-FREXBYPZSA-N |
| InChI | InChI=1S/C61H88N14O18S2/c1-30(2)24-39-53(85)64-31(3)50(82)73-48(32(4)76)59(91)66-37(14-9-10-22-62)51(83)65-38(20-21-46(63)79)52(84)71-44-29-95-94-28-43(56(88)68-41(27-47(80)81)55(87)67-39)72-54(86)40(25-34-12-7-6-8-13-34)69-60(92)49(33(5)77)74-58(90)45-15-11-23-75(45)61(93)42(70-57(44)89)26-35-16-18-36(78)19-17-35/h6-8,12-13,16-19,30-33,37-45,48-49,76-78H,9-11,14-15,20-29,62H2,1-5H3,(H2,63,79)(H,64,85)(H,65,83)(H,66,91)(H,67,87)(H,68,88)(H,69,92)(H,70,89)(H,71,84)(H,72,86)(H,73,82)(H,74,90)(H,80,81)/t31-,32+,33+,37+,38-,39-,40-,41-,42-,43-,44+,45-,48-,49+/m0/s1 |
| SMILES | CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSSC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2 |
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 |
