Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033288
PROPERTIES
| NPAID | NPA033288 |
|---|---|
| CLUSTER ID | 9586 |
| NODE ID | 6413 |
| NAME | Thanafactin A |
| FORMULA | C43H75N9O13 |
| MOLECULAR WEIGHT (Da) | 926.1230 |
| ACCURATE MASS (Da) | 925.5484 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | fluorescens DSM 11579 |
| InChIKey | BUCXZOKQHZOCIP-ZXGXPUDXSA-N |
| InChI | InChI=1S/C43H75N9O13/c1-10-11-12-13-14-16-28(54)21-32(56)49-33(22(2)3)40(61)46-24(6)36(57)48-29(18-19-31(44)55)38(59)45-25(7)37(58)50-34(23(4)5)41(62)47-26(8)42(63)52-20-15-17-30(52)39(60)51-35(27(9)53)43(64)65/h22-30,33-35,53-54H,10-21H2,1-9H3,(H2,44,55)(H,45,59)(H,46,61)(H,47,62)(H,48,57)(H,49,56)(H,50,58)(H,51,60)(H,64,65)/t24-,25+,26+,27-,28-,29-,30+,33-,34-,35+/m1/s1 |
| SMILES | CCCCCCC[C@@H](O)CC(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kirchner, Norbert; Cano-Prieto, Carolina; Schulz-Fincke, Anna-Christina; Gütschow, Michael; Ortlieb, Nico; Moschny, Julia; Niedermeyer, Timo H J; Horak, Jeannie; Lämmerhofer, Michael; van der Voort, Menno; Raaijmakers, Jos M; Gross, Harald Discovery of Thanafactin A, a Linear, Proline-Containing Octalipopeptide from Pseudomonas sp. SH-C52, Motivated by Genome Mining. Journal of Natural Products 2021 84 (1) 101-109. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.0c01174 | PMID | 33382250 |
