Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027304
PROPERTIES
| NPAID | NPA027304 |
|---|---|
| CLUSTER ID | 8249 |
| NODE ID | 135 |
| NAME | Nostoweipeptin W2 |
| FORMULA | C61H86N10O15 |
| MOLECULAR WEIGHT (Da) | 1199.4140 |
| ACCURATE MASS (Da) | 1198.6274 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. XPORK 5A |
| InChIKey | UXXDXIYOJRIUQT-YMDMZXMDSA-N |
| InChI | InChI=1S/C61H86N10O15/c1-9-36(6)51-56(80)63-43(25-39-17-19-40(74)20-18-39)52(76)64-44(31-72)57(81)71-30-41(75)27-49(71)60(84)68-21-13-16-46(68)59(83)70-29-35(5)24-50(70)61(85)86-32-45(65-54(78)47(67(8)37(7)73)26-38-14-11-10-12-15-38)58(82)69-28-34(4)23-48(69)55(79)62-42(22-33(2)3)53(77)66-51/h10-12,14-15,17-20,33-36,41-51,72,74-75H,9,13,16,21-32H2,1-8H3,(H,62,79)(H,63,80)(H,64,76)(H,65,78)(H,66,77)/t34-,35-,36-,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]2CCCN2C(=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 |
