SpectraBase Spectrum ID |
7DyT9bj4EYk |
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 |