Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033102
PROPERTIES
| NPAID | NPA033102 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Emerimicin VI |
| FORMULA | C77H120N16O19 |
| MOLECULAR WEIGHT (Da) | 1573.9000 |
| ACCURATE MASS (Da) | 1572.8916 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Acremonium |
| ORIGIN SPECIES | tubakii W. Gams |
| InChIKey | HPSKOYMKFAIFRZ-AUPXWIRCSA-N |
| InChI | InChI=1S/C77H120N16O19/c1-20-76(18,86-59(102)51(34-43(3)4)82-56(99)39-79-62(105)70(6,7)88-65(108)73(12,13)90-66(109)74(14,15)89-64(107)72(10,11)84-58(101)52(80-44(5)95)36-46-30-26-23-27-31-46)67(110)91-75(16,17)68(111)92-40-48(96)37-53(92)60(103)83-50(32-33-55(78)98)57(100)87-77(19,21-2)69(112)93-41-49(97)38-54(93)61(104)85-71(8,9)63(106)81-47(42-94)35-45-28-24-22-25-29-45/h22-31,43,47-54,94,96-97H,20-21,32-42H2,1-19H3,(H2,78,98)(H,79,105)(H,80,95)(H,81,106)(H,82,99)(H,83,103)(H,84,101)(H,85,104)(H,86,102)(H,87,100)(H,88,108)(H,89,107)(H,90,109)(H,91,110)/t47-,48+,49+,50?,51-,52-,53-,54-,76+,77+/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](CC1=CC=CC=C1)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 |
