Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029349
PROPERTIES
| NPAID | NPA029349 |
|---|---|
| CLUSTER ID | 151 |
| NODE ID | 143 |
| NAME | Stechlisin D3 |
| FORMULA | C67H116N12O20 |
| MOLECULAR WEIGHT (Da) | 1409.7290 |
| ACCURATE MASS (Da) | 1408.8429 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. FhG100052 |
| InChIKey | HXUJSZUFTCICIQ-HDBYJYEHSA-N |
| InChI | InChI=1S/C67H116N12O20/c1-15-16-17-18-19-20-41(81)31-53(83)69-44(25-34(2)3)58(89)76-50(32-55(86)87)64(95)79-56-40(14)99-67(98)43(22-24-54(84)85)71-60(91)46(27-36(6)7)73-61(92)47(28-37(8)9)72-57(88)42(21-23-52(68)82)70-59(90)45(26-35(4)5)75-65(96)51(33-80)78-63(94)48(29-38(10)11)74-62(93)49(30-39(12)13)77-66(56)97/h34-51,56,80-81H,15-33H2,1-14H3,(H2,68,82)(H,69,83)(H,70,90)(H,71,91)(H,72,88)(H,73,92)(H,74,93)(H,75,96)(H,76,89)(H,77,97)(H,78,94)(H,79,95)(H,84,85)(H,86,87)/t40-,41+,42-,43+,44-,45+,46+,47+,48-,49-,50-,51-,56-/m1/s1 |
| SMILES | CCCCCCC[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](CC(C)C)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 |
