Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024696
PROPERTIES
| NPAID | NPA024696 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Xantholysin C |
| FORMULA | C86H148N18O23 |
| MOLECULAR WEIGHT (Da) | 1802.2330 |
| ACCURATE MASS (Da) | 1801.0965 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | putida BW11M3 |
| InChIKey | YBURQIMZBFFKPD-IZHYLOQSSA-N |
| InChI | InChI=1S/C86H148N18O23/c1-18-20-21-22-23-24-25-26-52(105)42-68(110)91-58(37-44(3)4)78(118)96-57(31-36-69(111)112)73(113)92-55(29-34-66(89)108)76(116)102-70(49(13)14)84(124)99-62(41-48(11)12)81(121)94-54(28-33-65(88)107)75(115)101-63-43-127-86(126)72(51(17)19-2)104-77(117)56(30-35-67(90)109)95-79(119)59(38-45(5)6)98-82(122)60(39-46(7)8)97-74(114)53(27-32-64(87)106)93-80(120)61(40-47(9)10)100-85(125)71(50(15)16)103-83(63)123/h24-25,44-63,70-72,105H,18-23,26-43H2,1-17H3,(H2,87,106)(H2,88,107)(H2,89,108)(H2,90,109)(H,91,110)(H,92,113)(H,93,120)(H,94,121)(H,95,119)(H,96,118)(H,97,114)(H,98,122)(H,99,124)(H,100,125)(H,101,115)(H,102,116)(H,103,123)(H,104,117)(H,111,112)/b25-24- |
| SMILES | OC(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)C/C=C\CCCCCC |
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 |
