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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-17 00:59:19 UTC
Update Date2021-09-14 15:40:10 UTC
HMDB IDHMDB0060394
Secondary Accession Numbers
  • HMDB60394
Metabolite Identification
Common Name5-Fluorodeoxyuridine monophosphate
Description5-Fluorodeoxyuridine monophosphate, also known as fdump or fluorodeoxyuridylate, belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. FdUMP acts as a suicide inhibitor of thymidylate synthase (TS). 5-Fluorodeoxyuridine monophosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Once this compound is united, the inhibition reaction begins with a different mechanism that would take place with the uracil. 5-Fluorodeoxyuridine monophosphate exists in all living organisms, ranging from bacteria to humans. But it has been shown that the conjugation of FdUMP with folic acid (FA) by a phosphodiester bonding shows improved cytotoxicity to both human and 5-FU-resistant colorectal tumor cells. The inhibition of the nucleotidase and fosfatase activity, decreased the effect of FdUMP, while the inhibitory effect was smaller in cells which had a lack of TK.FdUMP can enter both intact cells and activated cells in which dephosphorylation has already started.
Structure
Data?1563866054
Synonyms
ValueSource
5-Fluorodeoxyuridine monophosphoric acidGenerator
5-Fluoro-2-deoxyuridine monophosphate (fdump)HMDB
5-Fluoro-2-deoxyuridine monophosphoric acid (fdump)HMDB
5-FLUORODEOXYURIDYLic acidHMDB
5-Fluoro-2'-deoxyuridine-5'-monophosphateHMDB
5 Fluoro 2' deoxyuridine 5' monophosphateHMDB
FdUMPHMDB
FluorodeoxyuridylateHMDB
5-Fluoro-2'-deoxyuridine-5'-monophosphoric acidHMDB
Chemical FormulaC9H12FN2O8P
Average Molecular Weight326.1723
Monoisotopic Molecular Weight326.031530087
IUPAC Name{[(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional Name[(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonic acid
CAS Registry NumberNot Available
SMILES
O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(F)C(O)=NC1=O
InChI Identifier
InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
InChI KeyHFEKDTCAMMOLQP-RRKCRQDMSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPyrimidine nucleotides
Sub ClassPyrimidine deoxyribonucleotides
Direct ParentPyrimidine 2'-deoxyribonucleoside monophosphates
Alternative Parents
Substituents
  • Pyrimidine 2'-deoxyribonucleoside monophosphate
  • Halopyrimidine
  • Monoalkyl phosphate
  • Pyrimidone
  • Aryl fluoride
  • Aryl halide
  • Hydropyrimidine
  • Pyrimidine
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Heteroaromatic compound
  • Vinylogous amide
  • Tetrahydrofuran
  • Secondary alcohol
  • Urea
  • Lactam
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Organonitrogen compound
  • Organofluoride
  • Alcohol
  • Organohalogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
  • pyrimidine 2'-deoxyribonucleoside 5'-monophosphate (CHEBI:2129 )
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility8.91 g/LALOGPS
logP10(-1.3) g/LALOGPS
logP10(-1.4) g/LChemAxon
logS10(-1.8) g/LALOGPS
pKa (Strongest Acidic)1.23ChemAxon
pKa (Strongest Basic)-3.2ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area145.63 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity62.13 m³·mol⁻¹ChemAxon
Polarizability25.94 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+163.32630932474
DeepCCS[M-H]-160.96830932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
5-Fluorodeoxyuridine monophosphateO[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(F)C(O)=NC1=O3701.3Standard polar33892256
5-Fluorodeoxyuridine monophosphateO[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(F)C(O)=NC1=O2157.2Standard non polar33892256
5-Fluorodeoxyuridine monophosphateO[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(F)C(O)=NC1=O2904.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
5-Fluorodeoxyuridine monophosphate,1TMS,isomer #1C[Si](C)(C)O[C@H]1C[C@H](N2C=C(F)C(O)=NC2=O)O[C@@H]1COP(=O)(O)O2536.0Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,1TMS,isomer #2C[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C=C1F2552.6Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=C(F)C(O)=NC2=O)C[C@@H]1O2661.5Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,2TMS,isomer #1C[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O2)C=C1F2532.1Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,2TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=C(F)C(O)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C2630.2Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,2TMS,isomer #3C[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C=C1F2648.9Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,2TMS,isomer #4C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=C(F)C(O)=NC2=O)C[C@@H]1O)O[Si](C)(C)C2681.4Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TMS,isomer #1C[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C=C1F2640.7Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TMS,isomer #1C[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C=C1F2545.9Standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TMS,isomer #1C[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C=C1F3393.3Standard polar33892256
5-Fluorodeoxyuridine monophosphate,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=C(F)C(O)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2658.6Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=C(F)C(O)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2471.6Standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TMS,isomer #2C[Si](C)(C)O[C@H]1C[C@H](N2C=C(F)C(O)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3186.6Standard polar33892256
5-Fluorodeoxyuridine monophosphate,3TMS,isomer #3C[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1F2687.6Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TMS,isomer #3C[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1F2554.8Standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TMS,isomer #3C[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1F3194.3Standard polar33892256
5-Fluorodeoxyuridine monophosphate,4TMS,isomer #1C[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1F2670.5Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,4TMS,isomer #1C[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1F2598.7Standard non polar33892256
5-Fluorodeoxyuridine monophosphate,4TMS,isomer #1C[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1F3025.0Standard polar33892256
5-Fluorodeoxyuridine monophosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=C(F)C(O)=NC2=O)O[C@@H]1COP(=O)(O)O2807.2Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C=C1F2792.8Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=C(F)C(O)=NC2=O)C[C@@H]1O2897.6Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O2)C=C1F3003.4Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=C(F)C(O)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C3096.0Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C1F3091.0Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=C(F)C(O)=NC2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C3123.7Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C1F3281.6Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C1F3226.5Standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C1F3533.7Standard polar33892256
5-Fluorodeoxyuridine monophosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=C(F)C(O)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3303.4Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=C(F)C(O)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3120.8Standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=C(F)C(O)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3414.9Standard polar33892256
5-Fluorodeoxyuridine monophosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1F3316.9Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1F3192.6Standard non polar33892256
5-Fluorodeoxyuridine monophosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1F3412.8Standard polar33892256
5-Fluorodeoxyuridine monophosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1F3501.0Semi standard non polar33892256
5-Fluorodeoxyuridine monophosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1F3351.7Standard non polar33892256
5-Fluorodeoxyuridine monophosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1F3318.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 5-Fluorodeoxyuridine monophosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9410000000-870fe831cb893d234c572017-08-28Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-Fluorodeoxyuridine monophosphate GC-MS (2 TMS) - 70eV, Positivesplash10-01ot-8933200000-173c2e295b577396d9a22017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-Fluorodeoxyuridine monophosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Fluorodeoxyuridine monophosphate 10V, Positive-QTOFsplash10-001i-0900000000-602d1057b95d15b1b0a42017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Fluorodeoxyuridine monophosphate 20V, Positive-QTOFsplash10-001i-1900000000-48ba814243131de9c0fe2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Fluorodeoxyuridine monophosphate 40V, Positive-QTOFsplash10-001i-5900000000-02ecf9c6cb7457c735ea2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Fluorodeoxyuridine monophosphate 10V, Negative-QTOFsplash10-01u3-9553000000-7cf12c8b649a0477f6f62017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Fluorodeoxyuridine monophosphate 20V, Negative-QTOFsplash10-004i-9300000000-096c87690821f662e9fd2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Fluorodeoxyuridine monophosphate 40V, Negative-QTOFsplash10-004i-9000000000-7d84920d2729eda0963f2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Fluorodeoxyuridine monophosphate 10V, Positive-QTOFsplash10-0059-0529000000-9367211a2ac1cc3ed5fc2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Fluorodeoxyuridine monophosphate 20V, Positive-QTOFsplash10-001i-6910000000-a5d7bd6b0b443fcd57752021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Fluorodeoxyuridine monophosphate 40V, Positive-QTOFsplash10-0032-3910000000-673ba6b4c2b70c210ba22021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Fluorodeoxyuridine monophosphate 10V, Negative-QTOFsplash10-004i-4009000000-700e5e230400a3c90fff2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Fluorodeoxyuridine monophosphate 20V, Negative-QTOFsplash10-004i-9000000000-5b9c2629eda64da624582021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Fluorodeoxyuridine monophosphate 40V, Negative-QTOFsplash10-004i-9000000000-0493e88543dc42c6eb372021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB03761
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC04242
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFluorodeoxyuridylate
METLIN IDNot Available
PubChem Compound8642
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Enzymes

General function:
Nucleotide transport and metabolism
Specific function:
Not Available
Gene Name:
TK1
Uniprot ID:
P04183
Molecular weight:
25468.455
Reactions
Floxuridine + Adenosine triphosphate → 5-Fluorodeoxyuridine monophosphate + ADPdetails
General function:
Involved in ATP binding
Specific function:
Deoxyribonucleoside kinase that phosphorylates thymidine, deoxycytidine, and deoxyuridine. Also phosphorylates anti-viral and anti-cancer nucleoside analogs.
Gene Name:
TK2
Uniprot ID:
O00142
Molecular weight:
27561.495
Reactions
Floxuridine + Adenosine triphosphate → 5-Fluorodeoxyuridine monophosphate + ADPdetails