1.0 2011-09-21 00:11:34 UTC 2015-10-09 22:30:38 UTC FDB022288 N-Acetyl-L-tyrosine Acetyltyrosine is a side chain reaction of tyrosine. It converts to tyrosine and then can be used in neurotransmitter treatment as a precursor of cathecholamine (http://www.neuroassist.com/). [HMDB] (2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoate (2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoic acid L-N-acetyl-Tyrosine L-N-Acetyltyrosine N-acetyl-4-hydroxyphenylalanine N-Acetyl-L-tyrosine N-Acetyl-tyrosine N-Acetyltyrosine C11H13NO4 223.2252 223.084457909 (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid acetyl-L-tyrosine 537-55-3 CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1 CAHKINHBCWCHCF-JTQLQIEISA-N belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Tyrosine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetamides Amphetamines and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Secondary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Acetamide Amphetamine or derivatives Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Secondary carboxylic acid amide Tyrosine or derivatives L-tyrosine derivative N-acetyl-L-amino acid Solid logp 1.03 ALOGPS logs -1.95 ALOGPS solubility 2.51e+00 g/l ALOGPS logp 0.59 ChemAxon pka_strongest_acidic 3.67 ChemAxon pka_strongest_basic -2 ChemAxon iupac (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid ChemAxon average_mass 223.2252 ChemAxon mono_mass 223.084457909 ChemAxon smiles CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O ChemAxon formula C11H13NO4 ChemAxon inchi InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1 ChemAxon inchikey CAHKINHBCWCHCF-JTQLQIEISA-N ChemAxon polar_surface_area 86.63 ChemAxon refractivity 56.54 ChemAxon polarizability 22.25 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1516 Specdb::NmrOneD 1574 Specdb::NmrOneD 20922 Specdb::NmrOneD 20923 Specdb::NmrOneD 20924 Specdb::NmrOneD 20925 Specdb::NmrOneD 20926 Specdb::NmrOneD 20927 Specdb::NmrOneD 20928 Specdb::NmrOneD 20929 Specdb::NmrOneD 20930 Specdb::NmrOneD 20931 Specdb::NmrOneD 20932 Specdb::NmrOneD 20933 Specdb::NmrOneD 20934 Specdb::NmrOneD 20935 Specdb::NmrOneD 20936 Specdb::NmrOneD 20937 Specdb::NmrOneD 20938 Specdb::NmrOneD 20939 Specdb::NmrOneD 20940 Specdb::NmrOneD 20941 Specdb::CMs 1787 Specdb::CMs 1822 Specdb::CMs 6488 Specdb::CMs 31247 Specdb::CMs 31248 Specdb::CMs 37813 Specdb::CMs 137857 Specdb::CMs 145591 Specdb::CMs 1080429 Specdb::CMs 1080431 Specdb::CMs 1080433 Specdb::CMs 1080434 Specdb::CMs 1080436 Specdb::CMs 1080438 Specdb::CMs 1080440 Specdb::CMs 1080442 Specdb::CMs 1080444 Specdb::CMs 1080445 Specdb::CMs 1080447 Specdb::MsMs 1220 Specdb::MsMs 1221 Specdb::MsMs 1222 Specdb::MsMs 247830 Specdb::MsMs 247831 Specdb::MsMs 247832 Specdb::MsMs 267771 Specdb::MsMs 267772 Specdb::MsMs 267773 Specdb::MsMs 2236260 Specdb::MsMs 2237138 Specdb::MsMs 2238397 Specdb::MsMs 2239164 Specdb::MsMs 2240412 Specdb::MsMs 2241312 Specdb::MsMs 2242429 Specdb::MsMs 2243407 Specdb::MsMs 2244861 Specdb::MsMs 2245237 Specdb::MsMs 2247004 Specdb::MsMs 2248734 Specdb::MsMs 2248971 Specdb::MsMs 2249399 Specdb::MsMs 2249631 Specdb::MsMs 2250983 HMDB00866 28828 3NF #<Reference:0x000055ce32c36350> #<Reference:0x000055ce32c360f8> #<Reference:0x000055ce32c35f40> #<Reference:0x000055ce32c35d88> #<Reference:0x000055ce32c35bd0> #<Reference:0x000055ce32c35a18> #<Reference:0x000055ce32c35798> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Glycine N-acyltransferase Q6IB77 GLYAT Glycine N-acyltransferase-like protein 1 Q969I3 GLYATL1 Glycine N-acyltransferase-like protein 2 Q8WU03 GLYATL2