Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000579285 | Bronze | Albicidin&(LTQ-Orbitrap) |
COMPOUND NPA020027
PROPERTIES
| NPAID | NPA020027 |
|---|---|
| CLUSTER ID | 6397 |
| NODE ID | 4432 |
| NAME | Albicidin |
| FORMULA | C44H38N6O12 |
| MOLECULAR WEIGHT (Da) | 842.8180 |
| ACCURATE MASS (Da) | 842.2548 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Xanthomonas |
| ORIGIN SPECIES | albilineans |
| InChIKey | NZSWNNDHPOTJNH-VEJILBAHSA-N |
| InChI | InChI=1S/C44H38N6O12/c1-23(22-24-4-14-29(51)15-5-24)39(54)46-27-10-6-26(7-11-27)41(56)50-34(20-21-45)43(58)47-28-12-8-25(9-13-28)40(55)48-32-18-16-30(35(52)37(32)61-2)42(57)49-33-19-17-31(44(59)60)36(53)38(33)62-3/h4-19,22,34,51-53H,20H2,1-3H3,(H,46,54)(H,47,58)(H,48,55)(H,49,57)(H,50,56)(H,59,60)/b23-22+/t34-/m0/s1 |
| SMILES | C/C(=C\C1=CC=C(C=C1)O)/C(=O)NC2=CC=C(C=C2)C(=O)N[C@@H](CC#N)C(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C(=C(C=C4)C(=O)NC5=C(C(=C(C=C5)C(=O)O)O)OC)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cociancich S; Pesic A; Petras D; Uhlmann S; Kretz J; Schubert V; Vieweg L; Duplan S; Marguerettaz M; Noëll J; Pieretti I; Hügelland M; Kemper S; Mainz A; Rott P; Royer M; Süssmuth RD The gyrase inhibitor albicidin consists of p-aminobenzoic acids and cyanoalanine Nature Chemical Biology 2015 11 (3) 195-7. | ||
|---|---|---|---|
| DOI | 10.1038/nchembio.1734 | PMID | 25599532 |
