Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012457
PROPERTIES
| NPAID | NPA012457 |
|---|---|
| CLUSTER ID | 228 |
| NODE ID | 213 |
| NAME | Muraymycin B4 |
| FORMULA | C47H79N11O18 |
| MOLECULAR WEIGHT (Da) | 1086.2080 |
| ACCURATE MASS (Da) | 1085.5605 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | RGWUCUXNSQFHNH-XOCXMJSNSA-N |
| InChI | InChI=1S/C47H79N11O18/c1-21(2)12-9-8-10-13-27(60)74-35(23(5)6)30(55-40(65)29(24-14-18-52-45(49)53-24)57-46(70)56-28(22(3)4)42(66)67)39(64)51-17-11-16-50-31(43(68)69)36(76-44-38(72-7)32(61)25(20-48)73-44)37-33(62)34(63)41(75-37)58-19-15-26(59)54-47(58)71/h15,19,21-25,28-38,41,44,50,61-63H,8-14,16-18,20,48H2,1-7H3,(H,51,64)(H,55,65)(H,66,67)(H,68,69)(H3,49,52,53)(H,54,59,71)(H2,56,57,70)/t24-,25+,28-,29-,30-,31-,32+,33-,34+,35-,36-,37-,38+,41+,44-/m0/s1 |
| SMILES | CC(C)CCCCCC(=O)O[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)C(C)C |
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 |
