1.0 2020-05-06 19:43:04 UTC 2020-05-07 14:45:13 UTC BMDB0109709 4-Hydroxypyridine 4-Pyridinol gamma-Hydroxypyridine g-Hydroxypyridine Γ-hydroxypyridine 4-Hydroxypyridine nitrate 4-Pyridone 4(1H)-Pyridinone C5H5NO 95.0993 95.037113787 1,4-dihydropyridin-4-one 4pyridone 626-64-2 O=C1C=CNC=C1 InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7) GCNTZFIIOFTKIY-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydropyridines. Dihydropyridines are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds. Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Dihydropyridines Azacyclic compounds Cyclic ketones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Vinylogous amides Aromatic heteromonocyclic compound Azacycle Cyclic ketone Dihydropyridine Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Vinylogous amide Aromatic heteromonocyclic compounds logp -1.11 ALOGPS logs 0.09 ALOGPS logp 0.27 ChemAxon pka_strongest_acidic 15 ChemAxon pka_strongest_basic -5.3 ChemAxon iupac 1,4-dihydropyridin-4-one ChemAxon average_mass 95.0993 ChemAxon mono_mass 95.037113787 ChemAxon smiles O=C1C=CNC=C1 ChemAxon formula C5H5NO ChemAxon inchi InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7) ChemAxon inchikey GCNTZFIIOFTKIY-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 27.62 ChemAxon polarizability 9.13 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 946 Specdb::MsMs 45981 Specdb::MsMs 45982 Specdb::MsMs 45983 Specdb::MsMs 162561 Specdb::MsMs 162562 Specdb::MsMs 162563 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 12290 87614 C00007406