Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009777
PROPERTIES
| NPAID | NPA009777 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Apicidin D3 |
| FORMULA | C34H51N5O6 |
| MOLECULAR WEIGHT (Da) | 625.8110 |
| ACCURATE MASS (Da) | 625.3839 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | sp. |
| InChIKey | PCPGDKJMCJKQBE-KUAULRTKSA-N |
| InChI | InChI=1S/C34H51N5O6/c1-5-22(2)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-6-8-14-23(3)40)31(41)36-27(32(42)37-30)20-24-21-39(45-4)28-17-11-10-15-25(24)28/h10-11,15,17,21-23,26-27,29-30,40H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,23?,26-,27-,29+,30-/m0/s1 |
| SMILES | CCC(C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCCCC(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Singh, Sheo B.; Zink, Deborah L.; Liesch, Jerrold M.; Mosley, Ralph T.; Dombrowski, Anne W.; Bills, Gerald F.; Darkin-Rattray, Sandra J.; Schmatz, Dennis M.; Goetz, Michael A. Structure and chemistry of apicidins, a class of novel cyclic tetrapeptides without a terminal α-keto epoxide as inhibitors of histone deacetylase with potent antiprotozoal activities Journal of Organic Chemistry 2002 67 (3) 815-825. | ||
|---|---|---|---|
| DOI | 10.1021/jo016088w | PMID | 11856024 |
