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Thymidine
SpectraBase Compound ID CgYrzRS2JHz
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
Mol Weight 242.23 g/mol
Molecular Formula C10H14N2O5
Exact Mass 242.090272 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6PFlbh27J01
Name Thymidine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 35902-13-7 50-89-5
ChEBI ID 17748
Comments 100 mM thymidine - vendor: P-L Biochemicals 5012; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C10H14N2O5
IUPAC Name 1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
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
KEGG Compound ID C00214
KEGG Pathways PATH: map00240 Pyrimidine metabolism
PubChem Compound ID 5789
SMILES CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
Source File Reference bmse000244