Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032259
PROPERTIES
| NPAID | NPA032259 |
|---|---|
| CLUSTER ID | 1798 |
| NODE ID | 1457 |
| NAME | Zelkovamycin B |
| FORMULA | C36H43N9O10S |
| MOLECULAR WEIGHT (Da) | 793.8600 |
| ACCURATE MASS (Da) | 793.2854 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kitasatospora |
| ORIGIN SPECIES | sp. |
| InChIKey | ZSZUTDYWMWIAKG-VSBDOLEISA-N |
| InChI | InChI=1S/C36H43N9O10S/c1-7-19-29(49)40-20(8-2)33(52)44(5)14-25(46)38-17(3)32-42-23(16-56-32)30(50)41-22(12-18-13-37-21-10-9-11-24(55-6)27(18)21)31(51)43-36(4)28(48)34(53)45(35(36)54)15-26(47)39-19/h8-11,13,16-17,19,22,34,37,53H,7,12,14-15H2,1-6H3,(H,38,46)(H,39,47)(H,40,49)(H,41,50)(H,43,51)/b20-8-/t17-,19-,22+,34+,36+/m1/s1 |
| SMILES | C/C=C1\NC(=O)[C@@H](CC)NC(=O)CN2C(=O)[C@@](C)(NC(=O)[C@H](CC3=CNC4=C3C(OC)=CC=C4)NC(=O)C3=CSC(=N3)[C@@H](C)NC(=O)CN(C)C1=O)C(=O)[C@@H]2O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hao, Xiaomeng; Yu, Jiaqing; Wang, Yujia; Connolly, Jack A; Liu, Yufeng; Zhang, Yuqin; Yu, Liyan; Cen, Shan; Goss, Rebecca J M; Gan, Maoluo Zelkovamycins B-E, Cyclic Octapeptides Containing Rare Amino Acid Residues from an Endophytic Kitasatospora sp. Organic Letters 2020 22 (23) 9346-9350. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.0c03565 | PMID | 33216552 |
