Classification Term: 3495
Benzonitriles (ontology term: CHEMONTID:0001530)
Organic compounds containing a benzene bearing a nitrile substituent." []
found 21 associated metabolites at sub_class metabolite taxonomy ontology rank level.
Ancestor: Benzene and substituted derivatives
Child Taxonomies: Hydroxybenzonitriles
Ioxynil
CONFIDENCE standard compound; INTERNAL_ID 696; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4634; ORIGINAL_PRECURSOR_SCAN_NO 4633 CONFIDENCE standard compound; INTERNAL_ID 696; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4614; ORIGINAL_PRECURSOR_SCAN_NO 4611 CONFIDENCE standard compound; INTERNAL_ID 696; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4621; ORIGINAL_PRECURSOR_SCAN_NO 4618 CONFIDENCE standard compound; INTERNAL_ID 696; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4593; ORIGINAL_PRECURSOR_SCAN_NO 4590 CONFIDENCE standard compound; INTERNAL_ID 696; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4618; ORIGINAL_PRECURSOR_SCAN_NO 4615 CONFIDENCE standard compound; INTERNAL_ID 696; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4633; ORIGINAL_PRECURSOR_SCAN_NO 4631
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
This compound belongs to the family of Flavonoid O-Glycosides. These are compounds containing a carbohydrate moiety which is o-glycosidically linked to one of the flavonoid backbones (2-phenylchromen-4-one, 3-phenylchromen-4-one or 4-phenylcoumarin).
Chlorothalonil
D010575 - Pesticides > D008975 - Molluscacides D016573 - Agrochemicals
Rilpivirine
Rilpivirine belongs to the class of organic compounds known as nitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and at least 1 nitro group. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
4-Hydroxychlorothalonil
4-Hydroxychlorothalonil (SDS 3701) is a metabolite of the widely used fungicide chlorothalonil which is used to manage fungal diseases affecting agricultural crops around the world (PMID: 31265862). 4-Hydroxychlorothalonil was identified as one of forty plasma metabolites that could be used to predict gut microbiome Shannon diversity (PMID: 31477923). Shannon diversity is a metric that summarizes both species abundance and evenness, and it has been suggested as a marker for microbiome health. D010575 - Pesticides > D008975 - Molluscacides D016573 - Agrochemicals
4-(7-Hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)benzonitrile
C14H12N4O (252.10110619999998)
Phosphoric acid, mono(4-cyanophenyl) monomethyl ester
4-({4-[(2,4,6-Trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
4-[[4-Amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
4-[[5-Chloro-4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile
4-[[2-(4-Cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethylbenzonitrile
Alogliptin
(E)-4-(4-(4-(2-Cyanovinyl)-2,6-dimethylphenylamino)pyrimidin-2-ylamino)benzonitrile
Dapivirine
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
Benzonitrile, 3-fluoro-5-(2-(2-(fluoromethyl)-4-thiazolyl)ethynyl)-
Trelagliptin
Lirodenine
C26H18N2O2P2 (452.08434679999993)
Lirodenine is a member of the class of compounds known as benzonitriles. Benzonitriles are organic compounds containing a benzene bearing a nitrile substituent. Lirodenine is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Lirodenine can be found in custard apple, which makes lirodenine a potential biomarker for the consumption of this food product.