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UDP
SpectraBase Compound ID euqmm81JY5
InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey XCCTYIAWTASOJW-XVFCMESISA-N
Mol Weight 404.16 g/mol
Molecular Formula C9H14N2O12P2
Exact Mass 404.002198 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4eH2uK9if7L
Name UDP
Acquisition Mode SIMULTANEOUS
CAS Registry Number 58-98-0
ChEBI ID 17659
Comments 100 mM UDP - P-L Biochemicals 111001; 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 C9 H14 N2 O12 P2
IUPAC Name [[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid; [[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid
InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey XCCTYIAWTASOJW-XVFCMESISA-N
KEGG Compound ID C00015
KEGG Pathways PATH: map00240 Pyrimidine metabolism PATH: map00550 Peptidoglycan biosynthesis PATH: map04080 Neuroactive ligand-receptor interaction
PubChem Compound ID 6031
SMILES C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
Source File Reference bmse000266