Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020578
PROPERTIES
| NPAID | NPA020578 |
|---|---|
| CLUSTER ID | 993 |
| NODE ID | 141 |
| NAME | Syringomycin E |
| FORMULA | C53H85ClN14O17 |
| MOLECULAR WEIGHT (Da) | 1225.7970 |
| ACCURATE MASS (Da) | 1224.5906 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | syringae pv. syringae |
| InChIKey | ZQVJBRJGDVZANE-MTGUCJNSSA-N |
| InChI | InChI=1S/C53H85ClN14O17/c1-3-5-6-7-8-9-13-17-30(70)25-39(72)60-37-28-85-52(84)40(38(71)26-54)67-50(81)41(42(73)51(82)83)68-43(74)31(4-2)61-47(78)35(24-29-15-11-10-12-16-29)65-44(75)32(18-14-23-59-53(57)58)62-45(76)33(19-21-55)63-46(77)34(20-22-56)64-48(79)36(27-69)66-49(37)80/h4,10-12,15-16,30,32-38,40-42,69-71,73H,3,5-9,13-14,17-28,55-56H2,1-2H3,(H,60,72)(H,61,78)(H,62,76)(H,63,77)(H,64,79)(H,65,75)(H,66,80)(H,67,81)(H,68,74)(H,82,83)(H4,57,58,59)/b31-4-/t30-,32+,33-,34+,35+,36-,37+,38-,40+,41+,42+/m1/s1 |
| SMILES | CCCCCCCCC[C@H](CC(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(=C/C)/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CO)CCN)CCN)CCCN=C(N)N)CC2=CC=CC=C2)[C@@H](C(=O)O)O)[C@@H](CCl)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sorensen KN; Wanstrom AA; Allen SD; Takemoto JY Efficacy of Syringomycin E in a Murine Model of Vaginal Candidiasis Journal of Antibiotics 1998 51 (8) 743-749. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.51.743 | PMID | 9766466 |
