Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024779
PROPERTIES
| NPAID | NPA024779 |
|---|---|
| CLUSTER ID | 2654 |
| NODE ID | 2062 |
| NAME | Nystatin A3 |
| FORMULA | C53H85NO20 |
| MOLECULAR WEIGHT (Da) | 1056.2500 |
| ACCURATE MASS (Da) | 1055.5665 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | noursei |
| InChIKey | IKYMLQOHQLVORI-PLAPNZKPSA-N |
| InChI | InChI=1S/C53H85NO20/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(72-52-49(65)46(54)48(64)33(5)71-52)25-42-45(51(66)67)41(61)28-53(68,74-42)27-40(60)38(58)21-20-34(55)22-35(56)23-36(57)24-43(62)69-31(3)30(2)50(29)73-44-26-39(59)47(63)32(4)70-44/h6-7,9,11-19,29-42,44-50,52,55-61,63-65,68H,8,10,20-28,54H2,1-5H3,(H,66,67)/b7-6+,11-9+,14-12+,15-13+,18-16+,19-17+/t29-,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40+,41-,42-,44?,45+,46-,47-,48+,49-,50+,52-,53+/m0/s1 |
| SMILES | C[C@H]1/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H]([C@@H](CC[C@H](C[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1OC3C[C@H]([C@H]([C@@H](O3)C)O)O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zielinski J; Golik J; Pawlak J; Borowski E; Falkowski L The structure of nystatin A3, a component of nystatin complex. Journal of Antibiotics 1988 41 (9) 1289-1291. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.41.1289 | PMID | 3182406 |
