Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033101
PROPERTIES
| NPAID | NPA033101 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Emerimicin V |
| FORMULA | C78H122N16O19 |
| MOLECULAR WEIGHT (Da) | 1587.9270 |
| ACCURATE MASS (Da) | 1586.9072 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Acremonium |
| ORIGIN SPECIES | tubakii W. Gams |
| InChIKey | CYIGOEDJHMTHPD-KWSUPYHSSA-N |
| InChI | InChI=1S/C78H122N16O19/c1-20-76(17,92-66(109)74(13,14)90-65(108)73(11,12)89-64(107)72(9,10)85-59(102)53(81-45(6)96)37-47-31-27-24-28-32-47)67(110)80-40-57(100)83-52(35-44(4)5)60(103)87-77(18,21-2)68(111)91-75(15,16)69(112)93-41-49(97)38-54(93)61(104)84-51(33-34-56(79)99)58(101)88-78(19,22-3)70(113)94-42-50(98)39-55(94)62(105)86-71(7,8)63(106)82-48(43-95)36-46-29-25-23-26-30-46/h23-32,44,48-55,95,97-98H,20-22,33-43H2,1-19H3,(H2,79,99)(H,80,110)(H,81,96)(H,82,106)(H,83,100)(H,84,104)(H,85,102)(H,86,105)(H,87,103)(H,88,101)(H,89,107)(H,90,108)(H,91,111)(H,92,109)/t48-,49+,50+,51?,52-,53-,54-,55-,76+,77+,78+/m0/s1 |
| SMILES | CC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@](C)(CC)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 |
