Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016747
PROPERTIES
| NPAID | NPA016747 |
|---|---|
| CLUSTER ID | 229 |
| NODE ID | 214 |
| NAME | Muraymycin A2 |
| FORMULA | C48H82N14O19 |
| MOLECULAR WEIGHT (Da) | 1159.2630 |
| ACCURATE MASS (Da) | 1158.5881 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | NKJKSPSDTLFYLP-UOQVWMTISA-N |
| InChI | InChI=1S/C48H82N14O19/c1-22(2)28(42(70)71)59-47(74)60-29(24-14-18-55-46(52)56-24)40(69)58-30(35(23(3)4)79-27(64)13-10-8-6-7-9-11-19-62(76)45(50)51)39(68)54-17-12-16-53-31(43(72)73)36(81-44-38(77-5)32(65)25(21-49)78-44)37-33(66)34(67)41(80-37)61-20-15-26(63)57-48(61)75/h15,20,22-25,28-38,41,44,53,65-67,76H,6-14,16-19,21,49H2,1-5H3,(H3,50,51)(H,54,68)(H,58,69)(H,70,71)(H,72,73)(H3,52,55,56)(H,57,63,75)(H2,59,60,74)/t24?,25-,28+,29?,30+,31?,32-,33+,34-,35+,36-,37+,38-,41-,44+/m1/s1 |
| SMILES | CC(C)[C@@H]([C@@H](C(=O)NCCCNC([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(C4CCN=C(N4)N)NC(=O)N[C@@H](C(C)C)C(=O)O)OC(=O)CCCCCCCCN(C(=N)N)O |
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 |
