Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019783
PROPERTIES
| NPAID | NPA019783 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Lokisin |
| FORMULA | C64H111N11O20 |
| MOLECULAR WEIGHT (Da) | 1354.6490 |
| ACCURATE MASS (Da) | 1353.8007 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. (DSS41) |
| InChIKey | GHXLBZVIYYOQOC-ORYVKZIQSA-N |
| InChI | InChI=1S/C64H111N11O20/c1-15-17-18-19-20-21-39(78)27-49(79)65-40(22-32(3)4)54(84)69-45(28-50(80)81)59(89)75-53-38(14)95-64(94)46(29-51(82)83)71-62(92)52(37(13)16-2)74-58(88)44(26-36(11)12)68-61(91)48(31-77)73-57(87)42(24-34(7)8)67-60(90)47(30-76)72-56(86)41(23-33(5)6)66-55(85)43(25-35(9)10)70-63(53)93/h32-48,52-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,85)(H,67,90)(H,68,91)(H,69,84)(H,70,93)(H,71,92)(H,72,86)(H,73,87)(H,74,88)(H,75,89)(H,80,81)(H,82,83)/t37-,38-,39+,40?,41?,42?,43?,44?,45?,46?,47+,48+,52-,53+/m0/s1 |
| SMILES | CCCCCCC[C@H](CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)N[C@@H]1[C@@H](OC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](NC(=O)C(NC(=O)[C@H](NC(=O)C(NC(=O)C(NC1=O)CC(C)C)CC(C)C)CO)CC(C)C)CO)CC(C)C)[C@@H](C)CC)CC(=O)O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sorensen, Dan; Nielsen, Tommy H.; Sorensen, Jan; Christophersen, Carsten Cyclic lipoundecapeptide lokisin from Pseudomonas sp. strain DSS41 Tetrahedron Letters 2002 43 (25) 4421-4423. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(02)00856-0 | PMID | - |
