RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0018304
RefMet name	Sapropterin
Systematic name	(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	52634 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Pterins
Sub Class	Biopterins
Distribution of Sapropterin 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 Sapropterin
External Links
Pubchem CID	135398654
ChEBI ID	59560
KEGG ID	C00272
HMDB ID	HMDB0000027
MetaCyc ID	CPD-14053
Spectral data for Sapropterin standards
BMRB ID(NMR)	View NMR 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 Sapropterin

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

Table of KEGG human pathways containing Sapropterin

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