Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003219
PROPERTIES
| NPAID | NPA003219 |
|---|---|
| CLUSTER ID | 1817 |
| NODE ID | 141 |
| NAME | Phomafungin |
| FORMULA | C51H89N9O17 |
| MOLECULAR WEIGHT (Da) | 1100.3190 |
| ACCURATE MASS (Da) | 1099.6376 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phoma |
| ORIGIN SPECIES | sp. |
| InChIKey | PYTIXGOTWUBKRV-KKXOSGRXSA-N |
| InChI | InChI=1S/C51H89N9O17/c1-5-6-7-8-9-10-11-12-13-14-15-31(2)34-26-43(68)55-32(3)46(71)57-38(20-24-62)48(73)58-37(16-17-44(69)70)47(72)54-28-35(65)18-22-53-40(29-63)50(75)59-39(27-42(52)67)49(74)60-45(33(4)64)51(76)56-36(19-23-61)41(66)21-25-77-30-34/h31-34,36-40,45,53,61-64H,5-30H2,1-4H3,(H2,52,67)(H,54,72)(H,55,68)(H,56,76)(H,57,71)(H,58,73)(H,59,75)(H,60,74)(H,69,70)/t31?,32-,33-,34?,36?,37-,38?,39+,40-,45+/m0/s1 |
| SMILES | CCCCCCCCCCCCC(C)C1CC(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NCC(=O)CCN[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NC(C(=O)CCOC1)CCO)[C@H](C)O)CC(=O)N)CO)CCC(=O)O)CCO)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Herath, Kithsiri; Harris, Guy; Jayasuriya, Hiranthi; Zink, Deborah; Smith, Scott; Vicente, Francisca; Bills, Gerald; Collado, Javier; González, Antonio; Jiang, Bo; Kahn, Jennifer Nielsen; Galuska, Stefan; Giacobbe, Robert; Abruzzo, George; Hickey, Emily; Liberator, Paul; Xu, Deming; Roemer, Terry; Singh, Sheo B. Isolation, structure and biological activity of phomafungin, a cyclic lipodepsipeptide from a widespread tropical Phoma sp Bioorganic and Medicinal Chemistry 2009 17 (3) 1361-1369. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2008.12.009 | PMID | 19112025 |
