RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135927
RefMet name	Thymidine
Systematic name	1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Synonyms	PubChem Synonyms
Exact mass	242.090273 (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	C10H14N2O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37175 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
InChIKey	IQFYYKKMVGJFEH-XLPZGREQSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)O)c(=O)[nH]c1=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine deoxyribonucleosides
Distribution of Thymidine 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 Thymidine
External Links
Pubchem CID	5789
ChEBI ID	17748
KEGG ID	C00214
HMDB ID	HMDB0000273
Chemspider ID	5585
MetaCyc ID	THYMIDINE
EPA CompTox	DTXCID90209343
Spectral data for Thymidine 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 Thymidine

Rxn ID	KEGG Reaction	Enzyme
R01567	ATP + Thymidine <=> ADP + dTMP	ATP:thymidine 5'-phosphotransferase
R01569	dTMP + H2O <=> Thymidine + Orthophosphate	thymidylate 5'-phosphohydrolase
R01570	Thymidine + Orthophosphate <=> Thymine + 2-Deoxy-D-ribose 1-phosphate	thymidine:phosphate deoxy-alpha-D-ribosyltransferase
R02806	Thymidine + Base <=> Deoxynucleoside + Thymine	Nucleoside:purine(pyrimidine) deoxy-D-ribosyltransferase

Table of KEGG human pathways containing Thymidine

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	3