Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033105
PROPERTIES
| NPAID | NPA033105 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Emerimicin IX |
| 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 | XZIMXLSLLWNCNC-NXTDQQSXSA-N |
| InChI | InChI=1S/C74H122N16O19/c1-22-72(19,88-62(105)70(15,16)86-61(104)69(13,14)85-60(103)68(11,12)82-58(101)53(41(6)7)77-42(8)92)63(106)76-36-52(96)79-48(32-40(4)5)55(98)83-73(20,23-2)64(107)87-71(17,18)65(108)89-37-45(93)34-49(89)56(99)80-47(30-31-51(75)95)54(97)84-74(21,24-3)66(109)90-38-46(94)35-50(90)57(100)81-67(9,10)59(102)78-44(39-91)33-43-28-26-25-27-29-43/h25-29,40-41,44-50,53,91,93-94H,22-24,30-39H2,1-21H3,(H2,75,95)(H,76,106)(H,77,92)(H,78,102)(H,79,96)(H,80,99)(H,81,100)(H,82,101)(H,83,98)(H,84,97)(H,85,103)(H,86,104)(H,87,107)(H,88,105)/t44-,45+,46+,47?,48-,49-,50-,53-,72+,73+,74+/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](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 |
