Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012391
PROPERTIES
| NPAID | NPA012391 |
|---|---|
| CLUSTER ID | 83 |
| NODE ID | 78 |
| NAME | Gliotoxin G |
| FORMULA | C13H14N2O4S4 |
| MOLECULAR WEIGHT (Da) | 390.5330 |
| ACCURATE MASS (Da) | 389.9836 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus |
| InChIKey | TZBWGHOEGGDHNR-RBJBARPLSA-N |
| InChI | InChI=1S/C13H14N2O4S4/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-23-22-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1 |
| SMILES | CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@H]4N2C(=O)[C@]1(SSSS3)CO)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Waring; Eichner; Palni; Mullbacher The isolation and identification of a new metabolite from Aspergillus fumigatus related to gliotoxin Tetrahedron Letters 1986 27 (6) 735-738. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)84087-3 | PMID | - |
SYNTHESES
| CITATION 1 | Nicolaou KC; Lu M; Totokotsopoulos S; Heretsch P; Giguère D; Sun YP; Sarlah D; Nguyen TH; Wolf IC; Smee DF; Day CW; Bopp S; Winzeler EA Synthesis and biological evaluation of epidithio-, epitetrathio-, and bis-(methylthio)diketopiperazines: synthetic methodology, enantioselective total synthesis of epicoccin G, 8,8'-epi-ent-rostratin B, gliotoxin, gliotoxin G, emethallicin E, and haematocin and discovery of new antiviral and antimalarial agents. Journal of the American Chemical Society 2012 134 (41) 17320-17332. DOI: 10.1021/ja308429f PMID: 22978674 | ||
|---|---|---|---|
