Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014317
PROPERTIES
| NPAID | NPA014317 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Ampullosporin |
| FORMULA | C77H127N19O19 |
| MOLECULAR WEIGHT (Da) | 1622.9770 |
| ACCURATE MASS (Da) | 1621.9556 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Sepedonium |
| ORIGIN SPECIES | ampullosporum HKI-0053 |
| InChIKey | QXMNSBVEOAGSSK-UHFFFAOYSA-N |
| InChI | InChI=1S/C77H127N19O19/c1-39(2)33-45(38-97)84-58(103)48(27-30-54(78)99)86-64(109)71(9,10)92-62(107)51(34-40(3)4)85-59(104)49(28-31-55(79)100)87-66(111)73(13,14)95-70(115)77(21,22)96-69(114)76(19,20)91-61(106)50(29-32-56(80)101)88-65(110)72(11,12)93-63(108)52(35-41(5)6)89-67(112)74(15,16)94-68(113)75(17,18)90-57(102)42(7)82-60(105)53(83-43(8)98)36-44-37-81-47-26-24-23-25-46(44)47/h23-26,37,39-42,45,48-53,81,97H,27-36,38H2,1-22H3,(H2,78,99)(H2,79,100)(H2,80,101)(H,82,105)(H,83,98)(H,84,103)(H,85,104)(H,86,109)(H,87,111)(H,88,110)(H,89,112)(H,90,102)(H,91,106)(H,92,107)(H,93,108)(H,94,113)(H,95,115)(H,96,114) |
| SMILES | CC(C)CC(CO)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(CC1=CNC2=C1C=CC=C2)NC(C)=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ritzau, M; Heinze, S; Dornberger, K; Berg, A; Fleck, W; Schlegel, B; Härtl, A; Gräfe, U Ampullosporin, a new peptaibol-type antibiotic from Sepedonium ampullosporum HKI-0053 with neuroleptic activity in mice Journal of Antibiotics 1997 50 (9) 722-728. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.50.722 | PMID | 9360615 |
