Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033104
PROPERTIES
| NPAID | NPA033104 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Emerimicin VIII |
| FORMULA | C74H122N16O19 |
| MOLECULAR WEIGHT (Da) | 1539.8830 |
| ACCURATE MASS (Da) | 1538.9072 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Acremonium |
| ORIGIN SPECIES | tubakii W. Gams |
| InChIKey | IXGDDEOWMDCTSR-RMNLLOOMSA-N |
| InChI | InChI=1S/C74H122N16O19/c1-22-73(20,83-56(99)49(32-41(5)6)79-53(96)36-76-59(102)67(8,9)85-62(105)70(14,15)87-63(106)71(16,17)86-61(104)69(12,13)81-55(98)48(31-40(3)4)77-42(7)92)64(107)88-72(18,19)65(108)89-37-45(93)34-50(89)57(100)80-47(29-30-52(75)95)54(97)84-74(21,23-2)66(109)90-38-46(94)35-51(90)58(101)82-68(10,11)60(103)78-44(39-91)33-43-27-25-24-26-28-43/h24-28,40-41,44-51,91,93-94H,22-23,29-39H2,1-21H3,(H2,75,95)(H,76,102)(H,77,92)(H,78,103)(H,79,96)(H,80,100)(H,81,98)(H,82,101)(H,83,99)(H,84,97)(H,85,105)(H,86,104)(H,87,106)(H,88,107)/t44-,45+,46+,47?,48-,49-,50-,51-,73+,74+/m0/s1 |
| SMILES | CC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC(CCC(N)=O)C(=O)N[C@](C)(CC)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC(C)(C)C(=O)N[C@H](CO)CC1=CC=CC=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wu, Guangwei; Dentinger, Bryn T M; Nielson, Jason R; Peterson, Randall T; Winter, Jaclyn M Emerimicins V-X, 15-Residue Peptaibols Discovered from an Acremonium sp. through Integrated Genomic and Chemical Approaches. Journal of Natural Products 2021 84 (4) 1113-1126. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.0c01186 | PMID | 33617244 |
