RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135896
RefMet name	Tyrosine
Systematic name	(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
Synonyms	PubChem Synonyms
Exact mass	181.073894 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C9H11NO3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37107 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKey	OUYCCCASQSFEME-QMMMGPOBSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(ccc1C[C@@H](C(=O)O)N)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Distribution of Tyrosine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Tyrosine
External Links
Pubchem CID	6057
ChEBI ID	18186
KEGG ID	C00082
HMDB ID	HMDB0000158
Chemspider ID	5833
MetaCyc ID	TYR
EPA CompTox	DTXCID00199786
Spectral data for Tyrosine standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Tyrosine

Rxn ID	KEGG Reaction	Enzyme
R00031	Oxygen + 2 L-Tyrosine <=> 2 3,4-Dihydroxy-L-phenylalanine	1,2-benzenediol:oxygen oxidoreductase
R00729	L-Tyrosine + H2O + Oxygen <=> 3-(4-Hydroxyphenyl)pyruvate + Ammonia + Hydrogen peroxide	L-Tyrosine:oxygen oxidoreductase (deaminating)
R00731	L-Tyrosine + Oxygen <=> 3,4-Dihydroxy-L-phenylalanine + H2O	L-Tyrosine:oxygen oxidoreductase
R00734	L-Tyrosine + 2-Oxoglutarate <=> 3-(4-Hydroxyphenyl)pyruvate + L-Glutamate	L-tyrosine:2-oxoglutarate aminotransferase
R00736	L-Tyrosine <=> Tyramine + CO2	L-tyrosine carboxy-lyase (tyramine-forming)
R01795	Tetrahydrobiopterin + L-Phenylalanine + Oxygen <=> Dihydrobiopterin + L-Tyrosine + H2O	L-Phenylalanine,tetrahydrobiopterin:oxygen oxidoreductase (4-hydroxylating)
R01815	Tetrahydrobiopterin + L-Tyrosine + Oxygen <=> 3,4-Dihydroxy-L-phenylalanine + Dihydrobiopterin + H2O	L-Tyrosine,tetrahydrobiopterin:oxygen oxidoreductase (3-hydroxylating)
R02078	3,4-Dihydroxy-L-phenylalanine + L-Tyrosine + Oxygen <=> Dopaquinone + 3,4-Dihydroxy-L-phenylalanine + H2O	L-Tyrosine,L-dopa:oxygen oxidoreductase
R02918	ATP + L-Tyrosine + tRNA(Tyr) <=> AMP + Diphosphate + L-Tyrosyl-tRNA(Tyr)	L-Tyrosine:tRNA(Tyr) ligase (AMP-forming)
R03539	Hydroiodic acid + 3-Iodo-L-tyrosine <=> Iodine + L-Tyrosine	Hydroiodic acid + 3-Iodo-L-tyrosine <=> Iodine + L-Tyrosine
R09254	L-Tyrosine + Pyruvate <=> 3-(4-Hydroxyphenyl)pyruvate + L-Alanine	L-tyrosine:pyruvate aminotransferase
R09830	L-Tyrosine + H2O + NAD+ <=> 3-(4-Hydroxyphenyl)pyruvate + Ammonia + NADH + H+	L-Tyrosine:NAD+ oxidoreductase (deaminating)
R12611	L-Tyrosine + Hydrogen peroxide <=> 3,4-Dihydroxy-L-phenylalanine + H2O	L-tyrosine:hydrogen-peroxide oxidoreductase (L-dopa-forming)

Table of KEGG human pathways containing Tyrosine

Pathway ID	Human Pathway	# of reactions
hsa00350	Tyrosine metabolism	7
hsa01100	Metabolic pathways	4
hsa00400	Phenylalanine, tyrosine and tryptophan biosynthesis	3
hsa01230	Biosynthesis of amino acids	2
hsa00130	Ubiquinone and other terpenoid-quinone biosynthesis	1
hsa00970	Aminoacyl-tRNA biosynthesis	1
hsa00360	Phenylalanine metabolism	1