1.0 2016-09-30 22:46:38 UTC 2020-06-04 20:49:49 UTC BMDB0001488 BMDB01488 Nicotinic acid Nicotinic acid, also known as niacin or nicotinate, belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. Nicotinic acid is a drug which is used for the treatment of type iv and v hyperlipidemia. it is indicated as ajunctive therapy. Nicotinic acid exists as a solid, possibly soluble (in water), and a strong basic compound (based on its pKa) molecule. Nicotinic acid exists in all living species, ranging from bacteria to humans. Nicotinic acid and ribose 1-phosphate can be biosynthesized from nicotinate D-ribonucleoside through the action of the enzyme purine nucleoside phosphorylase. In cattle, nicotinic acid is involved in the metabolic pathway called the nicotinate and nicotinamide metabolism pathway. Nicotinic acid is a potentially toxic compound. 3-Carboxypyridine 3-Pyridinecarboxylic acid 3-Pyridylcarboxylic acid Acide nicotinique Acido nicotinico Acidum nicotinicum Anti-pellagra vitamin beta-Pyridinecarboxylic acid m-Pyridinecarboxylic acid Niacin Nikotinsaeure P.P. factor Pellagra preventive factor PP Factor Pyridine-beta-carboxylic acid Vitamin b3 Niacor Niaspan 3-Pyridinecarboxylate 3-Pyridylcarboxylate b-Pyridinecarboxylate b-Pyridinecarboxylic acid beta-Pyridinecarboxylate Β-pyridinecarboxylate Β-pyridinecarboxylic acid m-Pyridinecarboxylate Pyridine-b-carboxylate Pyridine-b-carboxylic acid Pyridine-beta-carboxylate Pyridine-β-carboxylate Pyridine-β-carboxylic acid Nicotinate 3-Carboxylpyridine Akotin Apelagrin Daskil Efacin Enduracin Linic Niac Niacine Nicacid Nicamin Nicangin Nico-span Nicobid Nicocap Nicodelmine Nicolar Niconacid Nicosan 3 Nicotinipca Nicyl Nyclin Pellagrin Pelonin Slo-niacin Wampocap Aluminum salt, niacin Induracin Niacin cobalt (2+) salt Niacin iron (2+) salt Niacin lithium salt Niacin magnesium salt Niacin sodium salt Nico-400 Potassium salt, niacin Sodium salt, niacin Tosylate, niacin Nicotinate, lithium Hydrochloride, niacin Niacin aluminum salt Niacin calcium salt Niacin copper (2+) salt Niacin hydrochloride Niacin lithium salt, hemihydrate Nico400 Tartrate, niacin 3 Pyridinecarboxylic acid Lithium nicotinate Niacin ammonium salt Niacin manganese (2+) salt Niacin potassium salt Niacin tartrate Niacin tosylate Niacin zinc salt Nico 400 C6H5NO2 123.1094 123.032028409 pyridine-3-carboxylic acid niacin 59-67-6 OC(=O)C1=CN=CC=C1 InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Pyridinecarboxylic acids Azacyclic compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine carboxylic acid Aromatic heteromonocyclic compounds Pyridine alkaloids Water-soluble vitamins pyridine alkaloid pyridinemonocarboxylic acid Solid melting_point 236.6 °C water_solubility 18.0 mg/mL logp 0.36 SANGSTER (1993) logp 0.29 ALOGPS logs -0.17 ALOGPS logp -0.17 ChemAxon pka_strongest_acidic 2.79 ChemAxon pka_strongest_basic 4.19 ChemAxon iupac pyridine-3-carboxylic acid ChemAxon average_mass 123.1094 ChemAxon mono_mass 123.032028409 ChemAxon smiles OC(=O)C1=CN=CC=C1 ChemAxon formula C6H5NO2 ChemAxon inchi InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) ChemAxon inchikey PVNIIMVLHYAWGP-UHFFFAOYSA-N ChemAxon polar_surface_area 50.19 ChemAxon refractivity 31.16 ChemAxon polarizability 11.3 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 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 Nicotinate and Nicotinamide Metabolism SMP0087241 Specdb::NmrTwoD 1075 Specdb::NmrTwoD 1656 Specdb::EiMs 446 Specdb::MsIr 1300 Specdb::MsIr 1301 Specdb::MsIr 1302 Specdb::CMs 754 Specdb::CMs 755 Specdb::CMs 756 Specdb::CMs 757 Specdb::CMs 1037 Specdb::CMs 2756 Specdb::CMs 27987 Specdb::CMs 30223 Specdb::CMs 30321 Specdb::CMs 30648 Specdb::CMs 30893 Specdb::CMs 31339 Specdb::CMs 32373 Specdb::CMs 38091 Specdb::CMs 132627 Specdb::CMs 140361 Specdb::NmrOneD 1716 Specdb::NmrOneD 2514 Specdb::NmrOneD 3213 Specdb::NmrOneD 4801 Specdb::NmrOneD 4802 Specdb::NmrOneD 147860 Specdb::NmrOneD 147861 Specdb::NmrOneD 147862 Specdb::NmrOneD 147863 Specdb::NmrOneD 147864 Specdb::NmrOneD 147865 Specdb::NmrOneD 147866 Specdb::NmrOneD 147867 Specdb::NmrOneD 147868 Specdb::NmrOneD 147869 Specdb::NmrOneD 147870 Specdb::NmrOneD 147871 Specdb::NmrOneD 147872 Specdb::NmrOneD 147873 Specdb::NmrOneD 147874 Specdb::NmrOneD 147875 Specdb::NmrOneD 147876 Specdb::NmrOneD 147877 Specdb::NmrOneD 147878 Specdb::NmrOneD 147879 Specdb::MsMs 1604 Specdb::MsMs 1605 Specdb::MsMs 1606 Specdb::MsMs 5336 Specdb::MsMs 5337 Specdb::MsMs 5338 Specdb::MsMs 5339 Specdb::MsMs 5340 Specdb::MsMs 5341 Specdb::MsMs 5342 Specdb::MsMs 5343 Specdb::MsMs 5344 Specdb::MsMs 5345 Specdb::MsMs 5346 Specdb::MsMs 5351 Specdb::MsMs 5352 Specdb::MsMs 5353 Specdb::MsMs 178800 Specdb::MsMs 178801 Specdb::MsMs 178802 Specdb::MsMs 181119 Specdb::MsMs 181120 Specdb::MsMs 181121 Specdb::MsMs 438191 Specdb::MsMs 438192 Adipose Tissue Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Colostrum Detected by NMR Zanardi E, Caligiani A, Palla L, Mariani M, Ghidini S, Di Ciccio PA, Palla G, Ianieri A: Metabolic profiling by (1)H NMR of ground beef irradiated at different irradiation doses. Meat Sci. 2015 May;103:83-9. doi: 10.1016/j.meatsci.2015.01.005. Epub 2015 Jan 15. 25637742 Epidermis Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Fibroblasts Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Intestine Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Kidney Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover 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 Liver 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 Milk 7.0669 uM Milk, filled, fluid, with blend of hydrogenated vegetable oils USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.0669 uM Milk, filled, fluid, with lauric acid oil USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.554 uM Milk, fluid, 1% fat, without added vitamin A and vitamin D USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.148 uM Milk, fluid, nonfat, calcium fortified (fat free or skim) USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 3.493 uM Milk, low sodium, fluid USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 8.123 uM Milk, lowfat, fluid, 1% milkfat, protein fortified, with added vitamin A and vitamin D USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.311 uM Milk, lowfat, fluid, 1% milkfat, with added nonfat milk solids, vitamin A and vitamin D USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.554 uM Milk, lowfat, fluid, 1% milkfat, with added vitamin A and vitamin D USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 8.204 uM Milk, nonfat, fluid, protein fortified, with added vitamin A and vitamin D (fat free and skim) USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.392 uM Milk, nonfat, fluid, with added nonfat milk solids, vitamin A and vitamin D (fat free or skim) USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.635 uM Milk, nonfat, fluid, with added vitamin A and vitamin D (fat free or skim) USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.635 uM Milk, nonfat, fluid, without added vitamin A and vitamin D (fat free or skim) USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 8.529 uM Milk, partly skim, conventional (not organic), 1.5 % fat Fooddata+, The Technical University of Denmark (DTU): https://frida.fooddata.dk/QueryFood.php?fn=milk&lang=en Milk 7.311 uM Milk, partly skim, organic, 1.5 % fat Fooddata+, The Technical University of Denmark (DTU): https://frida.fooddata.dk/QueryFood.php?fn=milk&lang=en Milk 6.823 uM Milk, producer, fluid, 3.7% milkfat USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 8.204 uM Milk, reduced fat, fluid, 2% milkfat, protein fortified, with added vitamin A and vitamin D USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.311 uM Milk, reduced fat, fluid, 2% milkfat, with added nonfat milk solids and vitamin A and vitamin D USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 8.204 uM Milk, reduced fat, fluid, 2% milkfat, with added nonfat milk solids, without added vitamin A USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.473 uM Milk, reduced fat, fluid, 2% milkfat, with added vitamin A and vitamin D USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.473 uM Milk, reduced fat, fluid, 2% milkfat, without added vitamin A and vitamin D USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.311 uM Skim milk Fooddata+, The Technical University of Denmark (DTU): https://frida.fooddata.dk/QueryFood.php?fn=milk&lang=en Milk 7.392 uM Milk, skim, 0.5 % fat Fooddata+, The Technical University of Denmark (DTU): https://frida.fooddata.dk/QueryFood.php?fn=milk&lang=en Milk 7.311 uM Milk, skim, organic Fooddata+, The Technical University of Denmark (DTU): https://frida.fooddata.dk/QueryFood.php?fn=milk&lang=en Milk 6.498 uM Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013 Milk 7.229 uM Milk, whole, 3.25% milkfat, with added vitamin D USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.229 uM Milk, whole, 3.25% milkfat, without added vitamin A and vitamin D USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Milk 7.473 uM Milk, whole, 3.5, (UHT), % fat Fooddata+, The Technical University of Denmark (DTU): https://frida.fooddata.dk/QueryFood.php?fn=milk&lang=en Milk 7.0669 uM Milk, whole, conventional (not organic), 3.5 % fat Fooddata+, The Technical University of Denmark (DTU): https://frida.fooddata.dk/QueryFood.php?fn=milk&lang=en Milk 8.935 uM Milk, whole, organic, 3.5 % fat Fooddata+, The Technical University of Denmark (DTU): https://frida.fooddata.dk/QueryFood.php?fn=milk&lang=en Milk 32.492 uM Enriched, sterilized, whole commercial milk Agostini TS, Scherer R, Godoy HT: Simultaneous determination of B-group vitamins in enriched Brazilian dairy products. Crit Rev Food Sci Nutr. 2007;47(5):435-9. doi: 10.1080/10408390600846309. 17558655 Milk 6.823 - 7.148 uM Gaucheron F: Milk and dairy products: a unique micronutrient combination. J Am Coll Nutr. 2011 Oct;30(5 Suppl 1):400S-9S. 22081685 Milk Commercial, conventional whole milk Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff, John A. Ryals. Characterization of the biochemical variability of bovine milk using metabolomics. Metabolomics (2009) 5:375-386 doi: 10.1007/s11306-009-0160-8 Muscle Detected by NMR Zanardi E, Caligiani A, Palla L, Mariani M, Ghidini S, Di Ciccio PA, Palla G, Ianieri A: Metabolic profiling by (1)H NMR of ground beef irradiated at different irradiation doses. Meat Sci. 2015 May;103:83-9. doi: 10.1016/j.meatsci.2015.01.005. Epub 2015 Jan 15. 25637742 Ruminal Fluid 43 uM By NMR. Daily cows fed barley grains (15% of diet dry matter) (n=8) Saleem F, Ametaj BN, Bouatra S, Mandal R, Zebeli Q, Dunn SM, Wishart DS: A metabolomics approach to uncover the effects of grain diets on rumen health in dairy cows. J Dairy Sci. 2012 Nov;95(11):6606-23. doi: 10.3168/jds.2012-5403. Epub 2012 Sep 7. 22959937 Ruminal Fluid 62.1 uM By NMR. Daily cows fed barley grains (30% of diet dry matter) (n=8) Saleem F, Ametaj BN, Bouatra S, Mandal R, Zebeli Q, Dunn SM, Wishart DS: A metabolomics approach to uncover the effects of grain diets on rumen health in dairy cows. J Dairy Sci. 2012 Nov;95(11):6606-23. doi: 10.3168/jds.2012-5403. Epub 2012 Sep 7. 22959937 Ruminal Fluid 41.1 uM By NMR. Daily cows fed barley grains (45% of diet dry matter) (n=8) Saleem F, Ametaj BN, Bouatra S, Mandal R, Zebeli Q, Dunn SM, Wishart DS: A metabolomics approach to uncover the effects of grain diets on rumen health in dairy cows. J Dairy Sci. 2012 Nov;95(11):6606-23. doi: 10.3168/jds.2012-5403. Epub 2012 Sep 7. 22959937 Ruminal Fluid 37.4 uM By NMR. No barley grains in diet (n=8) Saleem F, Ametaj BN, Bouatra S, Mandal R, Zebeli Q, Dunn SM, Wishart DS: A metabolomics approach to uncover the effects of grain diets on rumen health in dairy cows. J Dairy Sci. 2012 Nov;95(11):6606-23. doi: 10.3168/jds.2012-5403. Epub 2012 Sep 7. 22959937 Ruminal Fluid 60 +/- 10 uM By NMR Aidin Foroutan, Carolyn Fitzsimmons, Rupasri Mandal, Hamed Piri‐Moghadam, Jiamin Zheng, AnChi Guo, Carin Li, Le Luo Guan and David S. Wishart. The Bovine Metabolome. Metabolites 2020, 10, 233; doi:10.3390/metabo10060233 Ruminal Fluid 37.45 +/- 7.48 uM Fozia Saleem, Souhaila Bouatra, An Chi Guo, Nikolaos Psychogios, Rupasri Mandal, Suzanna M. Dunn, Burim N. Ametaj, David S. Wishart. The Bovine Ruminal Fluid Metabolome. Metabolomics (2013) 9:360–378. Ruminal Fluid Samples collected from 16 multiparous Holstein cows Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. 25599412 Ruminal Fluid 18-46 uM By NMR O'Callaghan TF, Vazquez-Fresno R, Serra-Cayuela A, Dong E, Mandal R, Hennessy D, McAuliffe S, Dillon P, Wishart DS, Stanton C, Ross RP: Pasture Feeding Changes the Bovine Rumen and Milk Metabolome. Metabolites. 2018 Apr 6;8(2). pii: metabo8020027. doi: 10.3390/metabo8020027. 29642378 Ruminal Fluid 24.7 uM By NMR. Primiparous Holstein cows fed barley grains (15% of diet dry matter) Burim NA, Qendrim Z, Fozia S, Psychogios N, Michael JL, Dunn SM, Jianguo X, Wishart DS. Metabolomics reveals unhealthy alterations in rumen metabolism with increased proportion of cereal grain in the diet of dairy cows. Metabolomics. 2010;6(4):583-594 doi: 10.1007/s11306-010-0227-6 Ruminal Fluid 35.7 uM By NMR. Primiparous Holstein cows fed barley grains (30% of diet dry matter) Burim NA, Qendrim Z, Fozia S, Psychogios N, Michael JL, Dunn SM, Jianguo X, Wishart DS. Metabolomics reveals unhealthy alterations in rumen metabolism with increased proportion of cereal grain in the diet of dairy cows. Metabolomics. 2010;6(4):583-594 doi: 10.1007/s11306-010-0227-6 Ruminal Fluid 32.2 uM By NMR. Primiparous Holstein cows fed barley grains (45% of diet dry matter) Burim NA, Qendrim Z, Fozia S, Psychogios N, Michael JL, Dunn SM, Jianguo X, Wishart DS. Metabolomics reveals unhealthy alterations in rumen metabolism with increased proportion of cereal grain in the diet of dairy cows. Metabolomics. 2010;6(4):583-594 doi: 10.1007/s11306-010-0227-6 Ruminal Fluid 21.5 uM By NMR. Primiparous Holstein cows, no barley grains in diet. Burim NA, Qendrim Z, Fozia S, Psychogios N, Michael JL, Dunn SM, Jianguo X, Wishart DS. Metabolomics reveals unhealthy alterations in rumen metabolism with increased proportion of cereal grain in the diet of dairy cows. Metabolomics. 2010;6(4):583-594 doi: 10.1007/s11306-010-0227-6 Ruminal Fluid 43 +/- 11 uM Samples have been collected from 8 healthy primiparous Holstein cow fed barley grains (15% of diet dry matter). Fozia Saleem, Souhaila Bouatra, An Chi Guo, Nikolaos Psychogios, Rupasri Mandal, Suzanna M. Dunn, Burim N. Ametaj, David S. Wishart. The Bovine Ruminal Fluid Metabolome. Metabolomics (2013) 9:360–378. Ruminal Fluid 62 +/- 17 uM Samples have been collected from 8 healthy primiparous Holstein cow fed barley grains (30% of diet dry matter). Fozia Saleem, Souhaila Bouatra, An Chi Guo, Nikolaos Psychogios, Rupasri Mandal, Suzanna M. Dunn, Burim N. Ametaj, David S. Wishart. The Bovine Ruminal Fluid Metabolome. Metabolomics (2013) 9:360–378. Ruminal Fluid 41 +/- 12 uM Samples have been collected from 8 healthy primiparous Holstein cow fed barley grains (45% of diet dry matter). Fozia Saleem, Souhaila Bouatra, An Chi Guo, Nikolaos Psychogios, Rupasri Mandal, Suzanna M. Dunn, Burim N. Ametaj, David S. Wishart. The Bovine Ruminal Fluid Metabolome. Metabolomics (2013) 9:360–378. Ruminal Fluid 37 +/- 8 uM Samples have been collected from 8 healthy primiparous Holstein cow, no barley grains in diet. Fozia Saleem, Souhaila Bouatra, An Chi Guo, Nikolaos Psychogios, Rupasri Mandal, Suzanna M. Dunn, Burim N. Ametaj, David S. Wishart. The Bovine Ruminal Fluid Metabolome. Metabolomics (2013) 9:360–378. Skeletal Muscle Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C00253 DB00627 FDB001014 913 938 15940 C00000208 Niacin NIACINE 34401 6272 McElvain, S. M.; Goese, M. A. Preparation of nicotinic acid from pyridine. Journal of the American Chemical Society (1941), 63 2283-4. Agostini TS, Scherer R, Godoy HT: Simultaneous determination of B-group vitamins in enriched Brazilian dairy products. Crit Rev Food Sci Nutr. 2007;47(5):435-9. doi: 10.1080/10408390600846309. 17558655 Gaucheron F: Milk and dairy products: a unique micronutrient combination. J Am Coll Nutr. 2011 Oct;30(5 Suppl 1):400S-9S. 22081685 Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff and John A. Ryals. Characterization of the biochemical variability of bovine milk using metabolomics. Metabolomics (2009) 5:375?386 Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013 USDA Food Composition Databases: https://ndb.nal.usda.gov/ndb/ Fooddata+, The Technical University of Denmark (DTU): https://frida.fooddata.dk/QueryFood.php?fn=milk&lang=en BMDBP00535 Diacylglycerol O-acyltransferase 2 Q70VZ8 DGAT2 Enzyme