Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028874
PROPERTIES
| NPAID | NPA028874 |
|---|---|
| CLUSTER ID | 8566 |
| NODE ID | 141 |
| NAME | Piricyclamide TLGCM(O)NGTERCLGLP |
| FORMULA | C63H105N19O21S3 |
| MOLECULAR WEIGHT (Da) | 1560.8460 |
| ACCURATE MASS (Da) | 1559.6895 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa NIES843 |
| InChIKey | AJEAJMSDIHYTQZ-ZYBLOIBVSA-N |
| InChI | InChI=1S/C63H105N19O21S3/c1-29(2)20-37-51(91)68-24-45(86)71-40(22-31(5)6)62(102)82-18-11-13-43(82)59(99)81-50(33(8)84)61(101)78-38(21-30(3)4)52(92)69-25-46(87)72-41-27-104-105-28-42(58(98)76-37)79-54(94)34(12-10-17-67-63(65)66)73-55(95)35(14-15-48(89)90)75-60(100)49(32(7)83)80-47(88)26-70-53(93)39(23-44(64)85)77-56(96)36(74-57(41)97)16-19-106(9)103/h29-43,49-50,83-84H,10-28H2,1-9H3,(H2,64,85)(H,68,91)(H,69,92)(H,70,93)(H,71,86)(H,72,87)(H,73,95)(H,74,97)(H,75,100)(H,76,98)(H,77,96)(H,78,101)(H,79,94)(H,80,88)(H,81,99)(H,89,90)(H4,65,66,67)/t32-,33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,49+,50-,106?/m1/s1 |
| SMILES | CC(C)C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)CNC1=O)C(=O)N[C@@H](CCS(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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 |
