Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029351
PROPERTIES
| NPAID | NPA029351 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Stechlisin F |
| FORMULA | C69H120N12O20 |
| MOLECULAR WEIGHT (Da) | 1437.7830 |
| ACCURATE MASS (Da) | 1436.8742 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. FhG100052 |
| InChIKey | YTFQPQJITWJRMB-NGNLIAESSA-N |
| InChI | InChI=1S/C69H120N12O20/c1-15-17-18-19-20-21-22-23-43(83)33-54(85)71-46(28-36(3)4)60(91)77-51(34-56(88)89)65(96)81-58-42(14)101-69(100)45(25-27-55(86)87)73-67(98)57(41(13)16-2)80-64(95)50(32-40(11)12)74-59(90)44(24-26-53(70)84)72-61(92)47(29-37(5)6)76-66(97)52(35-82)79-63(94)48(30-38(7)8)75-62(93)49(31-39(9)10)78-68(58)99/h36-52,57-58,82-83H,15-35H2,1-14H3,(H2,70,84)(H,71,85)(H,72,92)(H,73,98)(H,74,90)(H,75,93)(H,76,97)(H,77,91)(H,78,99)(H,79,94)(H,80,95)(H,81,96)(H,86,87)(H,88,89)/t41-,42+,43-,44+,45-,46+,47-,48+,49+,50-,51+,52+,57-,58+/m0/s1 |
| SMILES | CCCCCCCCC[C@H](O)CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)O[C@@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Marner, Michael; Patras, Maria A.; Kurz, Michael; Zubeil, Florian; Förster, Frank; Schuler, Sören; Bauer, Armin; Hammann, Peter; Vilcinskas, Andreas; Schaberle, Till F.; Glaeser, Jens Molecular networking-guided discovery and characterization of stechlisins, a group of cyclic lipopeptides from a Pseudomonas sp. Journal of Natural Products 2020 83 (9) 2607-2617. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.0c00263 | PMID | 32822175 |
