RefMet Compound Details

RefMet ID	RM0135896
MW structure	37107 (View MW Metabolite Database details)
RefMet name	Tyrosine
Systematic name	(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
SMILES	c1cc(ccc1C[C@@H](C(=O)O)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
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
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Pubchem CID	6057
ChEBI ID	17895
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