Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA004955
PROPERTIES
NPAID | NPA004955 |
---|---|
CLUSTER ID | 229 |
NODE ID | 214 |
NAME | Muraymycin A3 |
FORMULA | C52H90N14O18 |
MOLECULAR WEIGHT (Da) | 1199.3720 |
ACCURATE MASS (Da) | 1198.6558 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | AUKOLPAKZXZQFT-SDTQCLEHSA-N |
InChI | InChI=1S/C52H90N14O18/c1-26(2)32(46(74)75)64-51(78)65-33(28-18-23-60-50(56)61-28)44(73)63-34(39(27(3)4)82-31(68)17-14-12-10-8-6-7-9-11-13-15-20-59-49(54)55)43(72)58-22-16-21-57-35(47(76)77)40(84-48-42(80-5)36(69)29(25-53)81-48)41-37(70)38(71)45(83-41)66-24-19-30(67)62-52(66)79/h19,24,26-29,32-42,45,48,57,69-71H,6-18,20-23,25,53H2,1-5H3,(H,58,72)(H,63,73)(H,74,75)(H,76,77)(H4,54,55,59)(H3,56,60,61)(H,62,67,79)(H2,64,65,78)/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 |
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 |