Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016505
PROPERTIES
| NPAID | NPA016505 |
|---|---|
| CLUSTER ID | 229 |
| NODE ID | 214 |
| NAME | Muraymycin A1 |
| FORMULA | C52H90N14O19 |
| MOLECULAR WEIGHT (Da) | 1215.3710 |
| ACCURATE MASS (Da) | 1214.6507 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | SIMBTKIJSDLMPW-SDTQCLEHSA-N |
| InChI | InChI=1S/C52H90N14O19/c1-26(2)32(46(74)75)63-51(78)64-33(28-18-22-59-50(56)60-28)44(73)62-34(39(27(3)4)83-31(68)17-14-12-10-8-6-7-9-11-13-15-23-66(80)49(54)55)43(72)58-21-16-20-57-35(47(76)77)40(85-48-42(81-5)36(69)29(25-53)82-48)41-37(70)38(71)45(84-41)65-24-19-30(67)61-52(65)79/h19,24,26-29,32-42,45,48,57,69-71,80H,6-18,20-23,25,53H2,1-5H3,(H3,54,55)(H,58,72)(H,62,73)(H,74,75)(H,76,77)(H3,56,59,60)(H,61,67,79)(H2,63,64,78)/t28-,29+,32-,33-,34-,35-,36+,37-,38+,39-,40-,41-,42+,45+,48-/m0/s1 |
| SMILES | CC(C)[C@@H]([C@@H](C(=O)NCCCN[C@@H]([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)OC)C(=O)O)NC(=O)[C@H]([C@@H]4CCN=C(N4)N)NC(=O)N[C@@H](C(C)C)C(=O)O)OC(=O)CCCCCCCCCCCCN(C(=N)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | McDonald, Leonard A.; Barbieri, Laurel R.; Carter, Guy T.; Lenoy, Eileen; Lotvin, Jason; Petersen, Peter J.; Siegel, Marshall M.; Singh, Guy; Williamson, R. Thomas Structures of the Muraymycins, Novel Peptidoglycan Biosynthesis Inhibitors Journal of the American Chemical Society 2002 124 (35) 10260-10261. | ||
|---|---|---|---|
| DOI | 10.1021/ja017748h | PMID | 12197711 |
