Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032261
PROPERTIES
| NPAID | NPA032261 |
|---|---|
| CLUSTER ID | 1798 |
| NODE ID | 1457 |
| NAME | Zelkovamycin D |
| FORMULA | C36H45N9O10S |
| MOLECULAR WEIGHT (Da) | 795.8760 |
| ACCURATE MASS (Da) | 795.3010 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kitasatospora |
| ORIGIN SPECIES | sp. |
| InChIKey | IDQDOHKLXZSZIG-VQJCRCMASA-N |
| InChI | InChI=1S/C36H45N9O10S/c1-7-21-30(50)41-23(11-12-46)34(53)45(5)16-28(49)39-18(2)33-43-25(17-56-33)31(51)42-24(13-20-14-37-22-9-8-10-26(55-6)29(20)22)32(52)44-36(4,19(3)47)35(54)38-15-27(48)40-21/h8-11,14,17-18,21,24,37,46H,7,12-13,15-16H2,1-6H3,(H,38,54)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,44,52)/b23-11-/t18-,21-,24+,36+/m1/s1 |
| SMILES | CC[C@H]1NC(=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)C(=O)/C(=C/CO)NC1=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 |
