Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033106
PROPERTIES
| NPAID | NPA033106 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Emerimicin X |
| FORMULA | C73H120N16O19 |
| MOLECULAR WEIGHT (Da) | 1525.8560 |
| ACCURATE MASS (Da) | 1524.8916 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Acremonium |
| ORIGIN SPECIES | tubakii W. Gams |
| InChIKey | ILFKIASPGGMGOF-CUJSTGIPSA-N |
| InChI | InChI=1S/C73H120N16O19/c1-22-72(20,82-54(97)47(31-39(3)4)78-51(95)35-75-58(101)66(8,9)84-61(104)69(14,15)86-62(105)70(16,17)85-60(103)68(12,13)81-57(100)52(40(5)6)76-41(7)91)63(106)87-71(18,19)64(107)88-36-44(92)33-48(88)55(98)79-46(29-30-50(74)94)53(96)83-73(21,23-2)65(108)89-37-45(93)34-49(89)56(99)80-67(10,11)59(102)77-43(38-90)32-42-27-25-24-26-28-42/h24-28,39-40,43-49,52,90,92-93H,22-23,29-38H2,1-21H3,(H2,74,94)(H,75,101)(H,76,91)(H,77,102)(H,78,95)(H,79,98)(H,80,99)(H,81,100)(H,82,97)(H,83,96)(H,84,104)(H,85,103)(H,86,105)(H,87,106)/t43-,44+,45+,46?,47-,48-,49-,52-,72+,73+/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](NC(C)=O)C(C)C)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 |
