1.02011-09-21 00:16:59 UTC2015-10-09 22:33:32 UTCFDB0226203-Methoxytyrosine3-Methoxytyrosine is one of the main biochemical markers for Aromatic L-amino acid decarboxylase (AADC, EC 4.1.1.28) deficiency, an inborn error of metabolism that affects serotonin and dopamine biosynthesis. Patients are usually detected in infancy due to developmental delay, hypotonia, and extrapyramidal movements. Diagnosis is based on an abnormal neurotransmitter metabolite profile in CSF and reduced AADC activity in plasma. 3-methoxytyrosine is elevated in CSF, plasma, and urine. (PMID 1357595, 1281049, 16288991) [HMDB]3-methoxy-tyrosine3-methoxytyrosine3-O-Methyldopal-3-Methoxy tyrosineL-3-MethoxytyrosineL-4-Hydroxy-3-methoxyphenylalaninevanilalanineC10H13NO4211.2145211.0844579092-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid3-O-methyldopa7636-26-2COC1=C(O)C=CC(CC(N)C(O)=O)=C1InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)PFDUUKDQEHURQC-UHFFFAOYSA-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 derivativesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoidsAlkyl aryl ethersAlpha amino acidsAmino acidsAmphetamines and derivativesAnisolesAralkylaminesCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesMethoxybenzenesMethoxyphenolsMonoalkylaminesMonocarboxylic acids and derivativesOrganic oxidesOrganopnictogen compoundsPhenoxy compoundsPhenylalanine and derivativesPhenylpropanoic acids1-hydroxy-2-unsubstituted benzenoid3-phenylpropanoic-acidAlkyl aryl etherAlpha-amino acidAmineAmino acidAmphetamine or derivativesAnisoleAralkylamineAromatic homomonocyclic compoundBenzenoidCarbonyl groupCarboxylic acidEtherHydrocarbon derivativeMethoxybenzeneMethoxyphenolMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPhenolPhenol etherPhenoxy compoundPhenylalanine or derivativesPrimary aliphatic aminePrimary amineTyrosine or derivativesa guaiacolSolidlogp-2.09logs-1.85solubility2.96e+00 g/llogp-1.6pka_strongest_acidic1.75pka_strongest_basic9.33iupac2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acidaverage_mass211.2145mono_mass211.084457909smilesCOC1=C(O)C=CC(CC(N)C(O)=O)=C1formulaC10H13NO4inchiInChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)inchikeyPFDUUKDQEHURQC-UHFFFAOYSA-Npolar_surface_area92.78refractivity53.56polarizability21.01rotatable_bond_count4acceptor_count5donor_count3physiological_charge0formal_charge0Specdb::NmrTwoD1648Specdb::CMs13771Specdb::CMs38072Specdb::CMs115840Specdb::CMs146634Specdb::CMs996900Specdb::CMs996901Specdb::CMs996902Specdb::CMs996903Specdb::CMs996904Specdb::CMs996905Specdb::CMs996906Specdb::CMs996907Specdb::CMs996908Specdb::CMs996909Specdb::CMs996910Specdb::CMs996911Specdb::CMs996912Specdb::NmrOneD1707Specdb::NmrOneD147740Specdb::NmrOneD147741Specdb::NmrOneD147742Specdb::NmrOneD147743Specdb::NmrOneD147744Specdb::NmrOneD147745Specdb::NmrOneD147746Specdb::NmrOneD147747Specdb::NmrOneD147748Specdb::NmrOneD147749Specdb::NmrOneD147750Specdb::NmrOneD147751Specdb::NmrOneD147752Specdb::NmrOneD147753Specdb::NmrOneD147754Specdb::NmrOneD147755Specdb::NmrOneD147756Specdb::NmrOneD147757Specdb::NmrOneD147758Specdb::NmrOneD147759Specdb::MsMs49803Specdb::MsMs49804Specdb::MsMs49805Specdb::MsMs122727Specdb::MsMs122728Specdb::MsMs122729Specdb::MsMs2236611Specdb::MsMs2293950Specdb::MsMs2293951Specdb::MsMs2293952Specdb::MsMs2640820Specdb::MsMs2640821Specdb::MsMs2640822HMDB01434#<Reference:0x0000555674716e50>#<Reference:0x0000555674716c70>#<Reference:0x0000555674716ab8>AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823