Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027302
PROPERTIES
| NPAID | NPA027302 |
|---|---|
| CLUSTER ID | 8248 |
| NODE ID | 135 |
| NAME | Nostopeptolide L4 |
| FORMULA | C52H75N9O13 |
| MOLECULAR WEIGHT (Da) | 1034.2220 |
| ACCURATE MASS (Da) | 1033.5484 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UK2aImI |
| InChIKey | NNSKEWLXNDVFJI-YYNINNBHSA-N |
| InChI | InChI=1S/C52H75N9O13/c1-9-12-18-30(5)44(64)59-42-32(7)74-52(72)39-22-17-26-61(39)51(71)35(23-24-40(53)62)55-48(68)41(29(4)10-2)58-45(65)34(11-3)54-47(67)38-21-16-25-60(38)50(70)31(6)43(63)36(27-33-19-14-13-15-20-33)56-46(66)37(28-73-8)57-49(42)69/h11,13-15,18-20,29,31-32,35-39,41-42H,9-10,12,16-17,21-28H2,1-8H3,(H2,53,62)(H,54,67)(H,55,68)(H,56,66)(H,57,69)(H,58,65)(H,59,64)/b30-18-,34-11+/t29-,31?,32-,35-,36?,37-,38-,39-,41-,42+/m0/s1 |
| SMILES | C/C=C1/NC(=O)[C@@H]2CCCN2C(=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]2CCCN2C(=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 |
