Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA011335
PROPERTIES
NPAID | NPA011335 |
---|---|
CLUSTER ID | 229 |
NODE ID | 214 |
NAME | Muraymycin B1 |
FORMULA | C49H83N11O18 |
MOLECULAR WEIGHT (Da) | 1114.2620 |
ACCURATE MASS (Da) | 1113.5918 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | VSULGNIXRPZMLV-AIQNNSQFSA-N |
InChI | InChI=1S/C49H83N11O18/c1-8-25(6)14-11-9-10-12-15-29(62)76-37(24(4)5)32(57-42(67)31(26-16-20-54-47(51)55-26)59-48(72)58-30(23(2)3)44(68)69)41(66)53-19-13-18-52-33(45(70)71)38(78-46-40(74-7)34(63)27(22-50)75-46)39-35(64)36(65)43(77-39)60-21-17-28(61)56-49(60)73/h17,21,23-27,30-40,43,46,52,63-65H,8-16,18-20,22,50H2,1-7H3,(H,53,66)(H,57,67)(H,68,69)(H,70,71)(H3,51,54,55)(H,56,61,73)(H2,58,59,72)/t25?,26-,27+,30-,31-,32-,33-,34+,35-,36+,37-,38-,39-,40+,43+,46-/m0/s1 |
SMILES | CCC(C)CCCCCCC(=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. | ||
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DOI | 10.1021/ja017748h | PMID | 12197711 |