Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA002553
PROPERTIES
NPAID | NPA002553 |
---|---|
CLUSTER ID | 229 |
NODE ID | 214 |
NAME | Muraymycin B6 |
FORMULA | C46H77N11O18 |
MOLECULAR WEIGHT (Da) | 1072.1810 |
ACCURATE MASS (Da) | 1071.5448 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | YZEUTJAWYMCLNV-TXJLGKPFSA-N |
InChI | InChI=1S/C46H77N11O18/c1-20(2)11-8-9-12-26(59)73-34(22(5)6)29(54-39(64)28(23-13-17-51-44(48)52-23)56-45(69)55-27(21(3)4)41(65)66)38(63)50-16-10-15-49-30(42(67)68)35(75-43-37(71-7)31(60)24(19-47)72-43)36-32(61)33(62)40(74-36)57-18-14-25(58)53-46(57)70/h14,18,20-24,27-37,40,43,49,60-62H,8-13,15-17,19,47H2,1-7H3,(H,50,63)(H,54,64)(H,65,66)(H,67,68)(H3,48,51,52)(H,53,58,70)(H2,55,56,69)/t23-,24+,27-,28-,29-,30-,31+,32-,33+,34-,35-,36-,37+,40+,43-/m0/s1 |
SMILES | CC(C)CCCCC(=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 |