RefMet Compound Details

RefMet ID	RM0135927
MW structure	37175 (View MW Metabolite Database details)
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
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)
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
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
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine deoxyribonucleosides
Pubchem CID	5789
ChEBI ID	17748
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