Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008254
PROPERTIES
| NPAID | NPA008254 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Bergofungin |
| FORMULA | C73H120N16O19 |
| MOLECULAR WEIGHT (Da) | 1525.8560 |
| ACCURATE MASS (Da) | 1524.8916 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericellopsis |
| ORIGIN SPECIES | donezkii |
| InChIKey | YOMNVVBADFJOPW-UHFFFAOYSA-N |
| InChI | InChI=1S/C73H120N16O19/c1-22-73(21,66(108)89-36-45(93)33-49(89)57(99)82-67(9,10)60(102)77-43(37-90)31-42-26-24-23-25-27-42)84-54(96)46(28-29-50(74)94)79-56(98)48-32-44(92)35-88(48)65(107)72(19,20)87-63(105)69(13,14)81-55(97)47(30-38(2)3)78-51(95)34-75-58(100)52(39(4)5)80-61(103)68(11,12)85-64(106)71(17,18)86-62(104)70(15,16)83-59(101)53(40(6)7)76-41(8)91/h23-27,38-40,43-49,52-53,90,92-93H,22,28-37H2,1-21H3,(H2,74,94)(H,75,100)(H,76,91)(H,77,102)(H,78,95)(H,79,98)(H,80,103)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,106)(H,86,104)(H,87,105) |
| SMILES | CCC(C)(C(=O)N1CC(CC1C(=O)NC(C)(C)C(=O)NC(CC2=CC=CC=C2)CO)O)NC(=O)C(CCC(=O)N)NC(=O)C3CC(CN3C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | BERG, A.; RITZAU, M.; IHN, W.; SCHLEGEL, B.; FLECK, W. F.; HEINZE, S.; GRÄFE, U. Isolation and Structure of Bergofungin, a New Antifungal Peptaibol from Emericellopsis donezkii HKI 0059 Journal of Antibiotics 1996 49 (8) 817-820. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.49.817 | PMID | 8823517 |
