Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027301
PROPERTIES
| NPAID | NPA027301 |
|---|---|
| CLUSTER ID | 8248 |
| NODE ID | 135 |
| NAME | Nostopeptolide L3 |
| FORMULA | C52H75N9O14 |
| MOLECULAR WEIGHT (Da) | 1050.2210 |
| ACCURATE MASS (Da) | 1049.5433 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UK2aImI |
| InChIKey | MIJXOMVHUJDACZ-UHGSSAQESA-N |
| InChI | InChI=1S/C52H75N9O14/c1-9-12-17-29(5)44(65)59-42-31(7)75-52(73)39-25-33(62)26-61(39)51(72)35(21-22-40(53)63)55-48(69)41(28(4)10-2)58-45(66)34(11-3)54-47(68)38-20-16-23-60(38)50(71)30(6)43(64)36(24-32-18-14-13-15-19-32)56-46(67)37(27-74-8)57-49(42)70/h11,13-15,17-19,28,30-31,33,35-39,41-42,62H,9-10,12,16,20-27H2,1-8H3,(H2,53,63)(H,54,68)(H,55,69)(H,56,67)(H,57,70)(H,58,66)(H,59,65)/b29-17-,34-11+/t28-,30?,31-,33+,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]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 |
