Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478092 | Silver | Apicidin&C_120251 |
| CCMSLIB00000478093 | Silver | Apicidin&C_120251 |
COMPOUND NPA012028
PROPERTIES
| NPAID | NPA012028 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Apicidin C |
| FORMULA | C33H47N5O6 |
| MOLECULAR WEIGHT (Da) | 609.7680 |
| ACCURATE MASS (Da) | 609.3526 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | sp. |
| InChIKey | GWLHFNKLJRZBAI-KGKLHAENSA-N |
| InChI | InChI=1S/C33H47N5O6/c1-5-23(39)13-7-6-8-15-25-30(40)35-26(19-22-20-38(44-4)27-16-10-9-14-24(22)27)31(41)36-29(21(2)3)33(43)37-18-12-11-17-28(37)32(42)34-25/h9-10,14,16,20-21,25-26,28-29H,5-8,11-13,15,17-19H2,1-4H3,(H,34,42)(H,35,40)(H,36,41)/t25-,26-,28+,29-/m0/s1 |
| SMILES | CCC(=O)CCCCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCCC[C@@H]2C(=O)N1)C(C)C)CC3=CN(C4=CC=CC=C43)OC |
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 |
