1.0 2016-09-30 23:20:01 UTC 2020-06-04 20:22:56 UTC BMDB0006050 BMDB06050 o-Tyrosine O-Tyrosine, also known as DL- O-tyrosine or ortho-tyrosine, belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. O-Tyrosine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. 2-Amino-3-(2-hydroxyphenyl)propanoic acid 2-Amino-3-(2-hydroxyphenyl)propanoate 2-Hydroxy-DL-phenylalanine 2-Hydroxy-phenylalanine 2-Hydroxyphenylalanine 2-Tyrosine 3-(O-Hydroxyphenyl)DL-alanine DL- O-Tyrosine DL-3-(O-Hydroxyphenyl)alanine DL-O-Tyrosine Ortho-tyrosine 2-Tyrosine, (D)-isomer 2-Tyrosine, (DL)-isomer 2-Tyrosine, (L)-isomer C9H11NO3 181.1885 181.073893223 2-amino-3-(2-hydroxyphenyl)propanoic acid 2-tyrosine NC(CC1=CC=CC=C1O)C(O)=O InChI=1S/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13) WRFPVMFCRNYQNR-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Phenylalanine and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alpha amino acids Amino acids Amphetamines and derivatives Aralkylamines Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Phenylpropanoic acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-phenylpropanoic-acid Alpha-amino acid Amine Amino acid Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Aromatic homomonocyclic compounds an amino acid derivative Solid melting_point 262 °C water_solubility 2 mg/mL at 17 °C logp -2.34 ALOGPS logs -1.51 ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 2.01 ChemAxon pka_strongest_basic 8.88 ChemAxon iupac 2-amino-3-(2-hydroxyphenyl)propanoic acid ChemAxon average_mass 181.1885 ChemAxon mono_mass 181.073893223 ChemAxon smiles NC(CC1=CC=CC=C1O)C(O)=O ChemAxon formula C9H11NO3 ChemAxon inchi InChI=1S/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13) ChemAxon inchikey WRFPVMFCRNYQNR-UHFFFAOYSA-N ChemAxon polar_surface_area 83.55 ChemAxon refractivity 47.1 ChemAxon polarizability 17.76 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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::MsIr 2359 Specdb::MsIr 2360 Specdb::MsIr 2361 Specdb::NmrTwoD 1969 Specdb::CMs 13709 Specdb::CMs 38950 Specdb::CMs 127933 Specdb::CMs 135828 Specdb::CMs 143562 Specdb::CMs 831120 Specdb::CMs 831121 Specdb::CMs 831122 Specdb::CMs 831123 Specdb::CMs 831124 Specdb::CMs 831125 Specdb::CMs 831126 Specdb::CMs 831127 Specdb::CMs 831128 Specdb::CMs 831129 Specdb::CMs 831130 Specdb::CMs 831131 Specdb::CMs 831132 Specdb::MsMs 2466 Specdb::MsMs 2467 Specdb::MsMs 2468 Specdb::MsMs 296221 Specdb::MsMs 296222 Specdb::MsMs 296223 Specdb::MsMs 337465 Specdb::MsMs 337466 Specdb::MsMs 337467 Specdb::MsMs 2391610 Specdb::MsMs 2391611 Specdb::MsMs 2391612 Specdb::MsMs 2570597 Specdb::MsMs 2570598 Specdb::MsMs 2570599 Specdb::NmrOneD 2035 Specdb::NmrOneD 61632 Specdb::NmrOneD 61633 Specdb::NmrOneD 61634 Specdb::NmrOneD 61635 Specdb::NmrOneD 61636 Specdb::NmrOneD 61637 Specdb::NmrOneD 61638 Specdb::NmrOneD 61639 Specdb::NmrOneD 61640 Specdb::NmrOneD 61641 Specdb::NmrOneD 61642 Specdb::NmrOneD 61643 Specdb::NmrOneD 61644 Specdb::NmrOneD 61645 Specdb::NmrOneD 61646 Specdb::NmrOneD 61647 Specdb::NmrOneD 61648 Specdb::NmrOneD 61649 Specdb::NmrOneD 61650 Specdb::NmrOneD 61651 Specdb::NmrOneD 166565 Blood 91 +/- 10 uM By LC-MS/MS & 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 Liver 84 +/- 27 nmol/g of tissue By LC-MS/MS & 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 Longissimus Thoracis Muscle 54 +/- 14 nmol/g of tissue By LC-MS/MS & 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 Milk Commercial whole milk with 3.25% fat Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. 29291809 Ruminal Fluid 295 +/- 136 uM By LC-MS/MS & 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 Semimembranosus Muscle 52 +/- 10 nmol/g of tissue By LC-MS/MS & 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 Testis 43 +/- 9 nmol/g of tissue By LC-MS/MS & 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 82607 91482 FDB023822 91038 CPD0-923 Tyrosine Kokotos, George; Tzougraki, Chrysa. Synthesis and study of substituted coumarins. A facile preparation of D,L-o-tyrosine. Journal of Heterocyclic Chemistry (1986), 23(1), 87-92 Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. 29291809