Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027303
PROPERTIES
| NPAID | NPA027303 |
|---|---|
| CLUSTER ID | 8249 |
| NODE ID | 135 |
| NAME | Nostoweipeptin W1 |
| FORMULA | C61H86N10O16 |
| MOLECULAR WEIGHT (Da) | 1215.4130 |
| ACCURATE MASS (Da) | 1214.6223 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. XPORK 5A |
| InChIKey | MMBXLTIUUMSPLR-VRJRVMSLSA-N |
| InChI | InChI=1S/C61H86N10O16/c1-9-35(6)51-56(81)63-43(22-38-15-17-39(74)18-16-38)52(77)64-44(30-72)57(82)70-28-40(75)24-48(70)60(85)71-29-41(76)25-49(71)59(84)69-27-34(5)21-50(69)61(86)87-31-45(65-54(79)46(67(8)36(7)73)23-37-13-11-10-12-14-37)58(83)68-26-33(4)20-47(68)55(80)62-42(19-32(2)3)53(78)66-51/h10-18,32-35,40-51,72,74-76H,9,19-31H2,1-8H3,(H,62,80)(H,63,81)(H,64,77)(H,65,79)(H,66,78)/t33-,34-,35-,40+,41+,42+,43-,44?,45?,46-,47-,48-,49-,50-,51-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2C[C@H](C)CN2C(=O)C(NC(=O)[C@H](CC2=CC=CC=C2)N(C)C(C)=O)COC(=O)[C@@H]2C[C@H](C)CN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(CO)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu L; Jokela J; Herfindal L; Wahlsten M; Sinkkonen J; Permi P; Fewer DP; Døskeland SO; Sivonen K 4-Methylproline guided natural product discovery: co-occurrence of 4-hydroxy- and 4-methylprolines in nostoweipeptins and nostopeptolides. ACS Chemical Biology 2014 9 (11) 2646-2655. | ||
|---|---|---|---|
| DOI | 10.1021/cb500436p | PMID | 25203327 |
