Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027299
PROPERTIES
| NPAID | NPA027299 |
|---|---|
| CLUSTER ID | 8248 |
| NODE ID | 135 |
| NAME | Nostopeptolide L1 |
| FORMULA | C53H77N9O14 |
| MOLECULAR WEIGHT (Da) | 1064.2480 |
| ACCURATE MASS (Da) | 1063.5590 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UK2aImI |
| InChIKey | YBUKCWICWKQCSF-UDXWXPJYSA-N |
| InChI | InChI=1S/C53H77N9O14/c1-10-13-17-30(6)45(66)60-43-32(8)76-53(74)40-24-34(63)26-62(40)52(73)36(20-21-41(54)64)56-49(70)42(29(5)11-2)59-46(67)35(12-3)55-48(69)39-22-28(4)25-61(39)51(72)31(7)44(65)37(23-33-18-15-14-16-19-33)57-47(68)38(27-75-9)58-50(43)71/h12,14-19,28-29,31-32,34,36-40,42-43,63H,10-11,13,20-27H2,1-9H3,(H2,54,64)(H,55,69)(H,56,70)(H,57,68)(H,58,71)(H,59,67)(H,60,66)/b30-17-,35-12+/t28-,29-,31?,32-,34+,36-,37?,38-,39-,40-,42-,43+/m0/s1 |
| SMILES | C/C=C1/NC(=O)[C@@H]2C[C@H](C)CN2C(=O)C(C)C(=O)C(CC2=CC=CC=C2)NC(=O)[C@H](COC)NC(=O)[C@H](NC(=O)/C(C)=C\CCC)[C@H](C)OC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)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 |
