Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006500
PROPERTIES
| NPAID | NPA006500 |
|---|---|
| CLUSTER ID | 228 |
| NODE ID | 213 |
| NAME | Muraymycin B5 |
| FORMULA | C46H77N11O18 |
| MOLECULAR WEIGHT (Da) | 1072.1810 |
| ACCURATE MASS (Da) | 1071.5448 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | KBHDQLSLVZLPRC-VPCIQXBHSA-N |
| InChI | InChI=1S/C46H77N11O18/c1-20(2)11-8-7-9-12-26(59)73-35(22(5)6)29(54-39(65)28(23-13-17-51-44(48)52-23)56-45(70)55-27(21(3)4)41(66)67)38(64)50-16-10-15-49-30(42(68)69)36(75-43-34(63)31(60)24(19-47)72-43)37-32(61)33(62)40(74-37)57-18-14-25(58)53-46(57)71/h14,18,20-24,27-37,40,43,49,60-63H,7-13,15-17,19,47H2,1-6H3,(H,50,64)(H,54,65)(H,66,67)(H,68,69)(H3,48,51,52)(H,53,58,71)(H2,55,56,70)/t23-,24+,27-,28-,29-,30-,31+,32-,33+,34+,35-,36-,37-,40+,43-/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)O)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 |
