Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032260
PROPERTIES
| NPAID | NPA032260 |
|---|---|
| CLUSTER ID | 1798 |
| NODE ID | 1457 |
| NAME | Zelkovamycin E |
| FORMULA | C35H43N9O9S |
| MOLECULAR WEIGHT (Da) | 765.8500 |
| ACCURATE MASS (Da) | 765.2904 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kitasatospora |
| ORIGIN SPECIES | sp. |
| InChIKey | JXUQPNLBWOOGRB-HAIQEQOSSA-N |
| InChI | InChI=1S/C35H43N9O9S/c1-8-21-33(51)44(6)15-27(47)39-18(3)32-42-24(16-54-32)30(49)41-23(12-20-13-36-22-10-9-11-25(53-7)28(20)22)31(50)43-35(5,19(4)45)34(52)37-14-26(46)38-17(2)29(48)40-21/h8-11,13,16-18,23,36H,12,14-15H2,1-7H3,(H,37,52)(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,43,50)/b21-8-/t17-,18-,23+,35+/m1/s1 |
| SMILES | C/C=C1\NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@](C)(C(C)=O)NC(=O)[C@H](CC2=CNC3=C2C(OC)=CC=C3)NC(=O)C2=CSC(=N2)[C@@H](C)NC(=O)CN(C)C1=O |
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 |
