RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135918
RefMet name	Sepiapterin
Systematic name	2-amino-6-[(2S)-2-hydroxypropanoyl]-1,4,7,8-tetrahydropteridin-4-one
Synonyms	PubChem Synonyms
Exact mass	237.086190 (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	C9H11N5O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37153 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1
InChIKey	VPVOXUSPXFPWBN-VKHMYHEASA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@@H](C(=O)C1=Nc2c(NC1)[nH]c(N)nc2=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Pterins
Sub Class	Pterins
Distribution of Sepiapterin in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Sepiapterin
External Links
Pubchem CID	135398579
ChEBI ID	194527
KEGG ID	C00835
HMDB ID	HMDB0000238
Chemspider ID	58746
MetaCyc ID	CPD-374
Spectral data for Sepiapterin standards
NP-MRD 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 Sepiapterin

Rxn ID	KEGG Reaction	Enzyme
R02975	7,8-Dihydrobiopterin + NADP+ <=> Sepiapterin + NADPH + H+	7,8-Dihydrobiopterin:NADP+ oxidoreductase

Table of KEGG human pathways containing Sepiapterin

Pathway ID	Human Pathway	# of reactions
hsa00790	Folate biosynthesis	1