Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024694
PROPERTIES
| NPAID | NPA024694 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Xantholysin A |
| FORMULA | C84H146N18O23 |
| MOLECULAR WEIGHT (Da) | 1776.1950 |
| ACCURATE MASS (Da) | 1775.0808 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | putida BW11M1 |
| InChIKey | CNAFSPBMMDALIS-UHFFFAOYSA-N |
| InChI | InChI=1S/C84H146N18O23/c1-18-20-21-22-23-24-50(103)40-66(108)89-56(35-42(3)4)76(116)94-55(29-34-67(109)110)71(111)90-53(27-32-64(87)106)74(114)100-68(47(13)14)82(122)97-60(39-46(11)12)79(119)92-52(26-31-63(86)105)73(113)99-61-41-125-84(124)70(49(17)19-2)102-75(115)54(28-33-65(88)107)93-77(117)57(36-43(5)6)96-80(120)58(37-44(7)8)95-72(112)51(25-30-62(85)104)91-78(118)59(38-45(9)10)98-83(123)69(48(15)16)101-81(61)121/h42-61,68-70,103H,18-41H2,1-17H3,(H2,85,104)(H2,86,105)(H2,87,106)(H2,88,107)(H,89,108)(H,90,111)(H,91,118)(H,92,119)(H,93,117)(H,94,116)(H,95,112)(H,96,120)(H,97,122)(H,98,123)(H,99,113)(H,100,114)(H,101,121)(H,102,115)(H,109,110) |
| SMILES | CCCCCCCC(O)CC(NC(CC(C)C)C(NC(CCC(O)=O)C(NC(CCC(N)=O)C(NC(C(C)C)C(NC(CC(C)C)C(NC(CCC(N)=O)C(NC(CO1)C(NC(C(C)C)C(NC(CC(C)C)C(NC(CCC(N)=O)C(NC(CC(C)C)C(NC(CC(C)C)C(NC(CCC(N)=O)C(NC(C(CC)C)C1=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li W; Rokni-Zadeh H; De Vleeschouwer M; Ghequire MG; Sinnaeve D; Xie GL; Rozenski J; Madder A; Martins JC; De Mot R The antimicrobial compound xantholysin defines a new group of Pseudomonas cyclic lipopeptides. PLoS One 2013 8 (5) e62946. | ||
|---|---|---|---|
| DOI | 10.1371/journal.pone.0062946 | PMID | 23690965 |
