Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032258
PROPERTIES
| NPAID | NPA032258 |
|---|---|
| CLUSTER ID | 1798 |
| NODE ID | 1457 |
| NAME | Zelkovamycin C |
| FORMULA | C36H45N9O10S |
| MOLECULAR WEIGHT (Da) | 795.8760 |
| ACCURATE MASS (Da) | 795.3010 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kitasatospora |
| ORIGIN SPECIES | sp. |
| InChIKey | OORNONOEAPJBHY-IXVWJLNKSA-N |
| InChI | InChI=1S/C36H45N9O10S/c1-8-20-30(50)41-21(9-2)34(53)45(6)15-27(49)39-17(3)33-43-24(16-56-33)31(51)42-23(12-19-13-37-22-10-11-25(47)29(55-7)28(19)22)32(52)44-36(5,18(4)46)35(54)38-14-26(48)40-20/h9-11,13,16-17,20,23,37,47H,8,12,14-15H2,1-7H3,(H,38,54)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,44,52)/b21-9-/t17-,20-,23+,36+/m1/s1 |
| SMILES | C/C=C1\NC(=O)[C@@H](CC)NC(=O)CNC(=O)[C@](C)(C(C)=O)NC(=O)[C@H](CC2=CNC3=C2C(OC)=C(O)C=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 |
