Identification Common Name Virginiamycin Class Small Molecule Description Antibacterial food additive. Discontinued Virginiamycin is a streptogramin antibiotic similar to pristinamycin and quinupristin/dalfopristin. It is a combination of pristinamycin IIA (virginiamycin M1) and virginiamycin S1. Virginiamycin is used in the fuel ethanol industry to prevent microbial contamination Contaminant Sources FooDB Chemicals
STOFF IDENT Compounds Contaminant Type Not Available Chemical Structure Synonyms Value Source Virginiamycin factor S Kegg Antibiotic 1754Z3b HMDB Cebin V HMDB Eskalin V HMDB Eskamicin HMDB Mikamycin HMDB Ostreogrycin HMDB Patricin HMDB Pristinamycin HMDB Stafac HMDB Staphylomycin S HMDB Staphylomycin S1 HMDB Stephylomycin HMDB Streptogramin HMDB Vernamycin HMDB Virginiamycin factor S1 HMDB Virginiamycin S1 HMDB Virginiamycin, ban, inn, usan HMDB VirginiamycinVirginiamycin S1 HMDB Dihydrovirginiamycin S1 HMDB
Chemical Formula C43 H49 N7 O10 Average Molecular Mass 823.890 g/mol Monoisotopic Mass 823.354 g/mol CAS Registry Number 11006-76-1 IUPAC Name (10R,11R,12E,17E,19E,21S)-21-hydroxy-11,19-dimethyl-10-(propan-2-yl)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone; N-[(3S,6S,12R,15S,16R,19S,22S)-3-benzyl-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide Traditional Name virginiamycin factor S1 SMILES CCC1NC(=O)C(NC(=O)C2=NC=CC=C2O)C(C)OC(=O)C(NC(=O)C2CC(=O)CCN2C(=O)C(CC2=CC=CC=C2)N(C)C(=O)C2CCCN2C1=O)C1=CC=CC=C1 InChI Identifier InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53) InChI Key FEPMHVLSLDOMQC-UHFFFAOYSA-N Spectra Spectra Spectrum Type Description Splash Key View Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive Not Available Spectrum Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive Not Available Spectrum Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive Not Available Spectrum Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive Not Available Spectrum Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive Not Available Spectrum Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive Not Available Spectrum Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-05fr-2491106050-93de58c83883a820420e Spectrum Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-05ai-7921000310-b3dbe42a9b0a7d161ba5 Spectrum Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-056s-6931000000-b83f8bea2e7202206d6e Spectrum Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-03fr-2794042000-228fdff1ed817529fbc0 Spectrum Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0007-7941143600-2fb816345cceb90bfd5c Spectrum Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-002r-2963230100-18b6ad489184b42dfdd7 Spectrum Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-00di-1000000290-a996fb04fb507fda738c Spectrum Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0006-9000001840-fc34e7a46980c6034e72 Spectrum Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-00kf-9000000100-ac3c127095b860829f0b Spectrum Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-00di-0100000290-a615f7321a3bda6f5f0d Spectrum Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-00di-5400000490-d7eb31a64f7bc5ada5bf Spectrum Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-00p1-6000000910-3ae72f4dd6f1d934b611 Spectrum
