RefMet Compound Details

MW structure	52634 (View MW Metabolite Database details)
RefMet name	Sapropterin
Systematic name	(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one
SMILES	C[C@@H]([C@@H]([C@H]1CNc2c(c(=O)[nH]c(N)n2)N1)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	241.117489 (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	C9H15N5O3	View other entries in RefMet with this formula
InChI	InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1
InChIKey	FNKQXYHWGSIFBK-RPDRRWSUSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organoheterocyclic compounds
Main Class	Pterins
Sub Class	Biopterins
Pubchem CID	135398654
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Sapropterin

Rxn ID	KEGG Reaction	Enzyme
R01813	Tetrahydrobiopterin + NADP+ <=> 6-Lactoyl-5,6,7,8-tetrahydropterin + NADPH + H+	tetrahydrobiopterin:NADP+ oxidoreductase
R07213	L-Tryptophan + Tetrahydrobiopterin + Oxygen <=> 5-Hydroxy-L-tryptophan + 4a-Hydroxytetrahydrobiopterin	L-tryptophan,tetrahydrobiopterin:oxygen oxidoreductase(5-hydroxylating)
R11765	Tetrahydrobiopterin + NADP+ <=> 7,8-Dihydrobiopterin + NADPH + H+	tetrahydrobiopterin:NADP+ oxidoreductase (7,8-dihydrobiopterin-forming)
R01794	Dihydrobiopterin + NADPH + H+ <=> Tetrahydrobiopterin + NADP+	5,6,7,8-tetrahydrobiopterin:NADP+ oxidoreductase
R07212	L-Tyrosine + Tetrahydrobiopterin + Oxygen <=> 3,4-Dihydroxy-L-phenylalanine + 4a-Hydroxytetrahydrobiopterin	L-tyrosine,tetrahydrobiopterin:oxygen oxidoreductase(3-hydroxylating)
R11764	Tetrahydrobiopterin + NADP+ <=> 6-(1'-Hydroxy-2'-oxopropyl)-tetrahydropterin + NADPH + H+	tetrahydrobiopterin:NADP+ oxidoreductase [6-(1'-Hydroxy-2'-oxopropyl)-tetrahydropterin-forming]
R08208	Tetrahydrobiopterin + 2 NADP+ <=> 6-Pyruvoyltetrahydropterin + 2 NADPH + 2 H+	tetrahydrobiopterin:NADP+ oxidoreductase (6-pyruvoyltetrahydropterin-forming)
R01793	Dihydrobiopterin + NADH + H+ <=> Tetrahydrobiopterin + NAD+	5,6,7,8-tetrahydrobiopterin:NAD+ oxidoreductase
R07211	L-Phenylalanine + Tetrahydrobiopterin + Oxygen <=> L-Tyrosine + 4a-Hydroxytetrahydrobiopterin	L-phenylalanine,tetrahydrobiopterin:oxygen oxidoreductase(4-hydroxylating)

Table of KEGG human pathways containing Sapropterin

Pathway ID	Human Pathway	# of reactions
hsa00790	Folate biosynthesis	9
hsa01100	Metabolic pathways	2