Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029347
PROPERTIES
| NPAID | NPA029347 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Stechlisin B2 |
| FORMULA | C65H112N12O20 |
| MOLECULAR WEIGHT (Da) | 1381.6750 |
| ACCURATE MASS (Da) | 1380.8116 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. FhG100052 |
| InChIKey | NRWCATCBPJNWKD-GCCXYMPISA-N |
| InChI | InChI=1S/C65H112N12O20/c1-15-17-18-19-39(79)29-50(81)67-42(24-32(3)4)56(87)73-47(30-52(84)85)61(92)77-54-38(14)97-65(96)41(21-23-51(82)83)69-63(94)53(37(13)16-2)76-60(91)46(28-36(11)12)70-55(86)40(20-22-49(66)80)68-57(88)43(25-33(5)6)72-62(93)48(31-78)75-59(90)44(26-34(7)8)71-58(89)45(27-35(9)10)74-64(54)95/h32-48,53-54,78-79H,15-31H2,1-14H3,(H2,66,80)(H,67,81)(H,68,88)(H,69,94)(H,70,86)(H,71,89)(H,72,93)(H,73,87)(H,74,95)(H,75,90)(H,76,91)(H,77,92)(H,82,83)(H,84,85)/t37-,38+,39-,40+,41-,42+,43-,44+,45+,46-,47+,48+,53-,54+/m0/s1 |
| SMILES | CCCCC[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 |
