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dTMP
SpectraBase Compound ID 1TcW90Etj8a
InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey GYOZYWVXFNDGLU-XLPZGREQSA-N
Mol Weight 322.21 g/mol
Molecular Formula C10H15N2O8P
Exact Mass 322.056602 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F3xHPn8X2gc
Name dTMP
Acquisition Mode SIMULTANEOUS
CAS Registry Number 365-07-1
ChEBI ID 17013
Comments 100 mM dTMP - Sigma T9625; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM DSS - pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley.
Formula C10 H15 N2 O8 P
IUPAC Name [(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid; [(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid
InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey GYOZYWVXFNDGLU-XLPZGREQSA-N
KEGG Compound ID C00364
KEGG Pathways PATH: map00240 Pyrimidine metabolism
PubChem Compound ID 9700
SMILES CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O
Source File Reference bmse000296