Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024695
PROPERTIES
| NPAID | NPA024695 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Xantholysin B |
| FORMULA | C83H144N18O23 |
| MOLECULAR WEIGHT (Da) | 1762.1680 |
| ACCURATE MASS (Da) | 1761.0652 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | putida BW11M2 |
| InChIKey | UBFQXDNOBHOEFV-UHFFFAOYSA-N |
| InChI | InChI=1S/C83H144N18O23/c1-18-19-20-21-22-23-49(102)39-65(107)88-55(34-41(2)3)75(115)93-54(28-33-66(108)109)70(110)89-52(26-31-63(86)105)73(113)99-67(46(12)13)81(121)96-59(38-45(10)11)78(118)91-51(25-30-62(85)104)72(112)98-60-40-124-83(123)69(48(16)17)101-74(114)53(27-32-64(87)106)92-76(116)56(35-42(4)5)95-79(119)57(36-43(6)7)94-71(111)50(24-29-61(84)103)90-77(117)58(37-44(8)9)97-82(122)68(47(14)15)100-80(60)120/h41-60,67-69,102H,18-40H2,1-17H3,(H2,84,103)(H2,85,104)(H2,86,105)(H2,87,106)(H,88,107)(H,89,110)(H,90,117)(H,91,118)(H,92,116)(H,93,115)(H,94,111)(H,95,119)(H,96,121)(H,97,122)(H,98,112)(H,99,113)(H,100,120)(H,101,114)(H,108,109) |
| 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(C)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 |
