Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033103
PROPERTIES
| NPAID | NPA033103 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Emerimicin VII |
| FORMULA | C75H124N16O19 |
| MOLECULAR WEIGHT (Da) | 1553.9100 |
| ACCURATE MASS (Da) | 1552.9229 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Acremonium |
| ORIGIN SPECIES | tubakii W. Gams |
| InChIKey | XNZNCJQPJKHTPR-TYIXHQEYSA-N |
| InChI | InChI=1S/C75H124N16O19/c1-22-73(19,89-63(106)71(15,16)87-62(105)70(13,14)86-61(104)69(11,12)82-56(99)49(32-41(4)5)78-43(8)93)64(107)77-37-54(97)80-50(33-42(6)7)57(100)84-74(20,23-2)65(108)88-72(17,18)66(109)90-38-46(94)35-51(90)58(101)81-48(30-31-53(76)96)55(98)85-75(21,24-3)67(110)91-39-47(95)36-52(91)59(102)83-68(9,10)60(103)79-45(40-92)34-44-28-26-25-27-29-44/h25-29,41-42,45-52,92,94-95H,22-24,30-40H2,1-21H3,(H2,76,96)(H,77,107)(H,78,93)(H,79,103)(H,80,97)(H,81,101)(H,82,99)(H,83,102)(H,84,100)(H,85,98)(H,86,104)(H,87,105)(H,88,108)(H,89,106)/t45-,46+,47+,48?,49-,50-,51-,52-,73+,74+,75+/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](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 |
