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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:33:32 UTC
Update Date2022-09-22 18:34:24 UTC
HMDB IDHMDB0029920
Secondary Accession Numbers
  • HMDB29920
Metabolite Identification
Common Namebeta-D-3-Ribofuranosyluric acid
Descriptionbeta-D-3-Ribofuranosyluric acid, also known as b-D-3-ribofuranosylate, belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. Based on a literature review a significant number of articles have been published on beta-D-3-Ribofuranosyluric acid.
Structure
Data?1563861911
Synonyms
ValueSource
b-D-3-RibofuranosylateGenerator
b-D-3-Ribofuranosylic acidGenerator
beta-D-3-RibofuranosylateGenerator
beta-D-3-Ribofuranosylic acidGenerator
Β-D-3-ribofuranosylateGenerator
Β-D-3-ribofuranosylic acidGenerator
3-(beta-D-Ribofuranosyl)uric acidHMDB
3-Ribosyluric acidHMDB
Urate-3-ribonucleosideHMDB
Uric acid ribonucleosideHMDB
Uric acid ribosideHMDB
Chemical FormulaC10H12N4O7
Average Molecular Weight300.2249
Monoisotopic Molecular Weight300.070598758
IUPAC Name3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,8-dihydroxy-3,9-dihydro-2H-purin-2-one
Traditional Name3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,8-dihydroxy-9H-purin-2-one
CAS Registry Number2124-54-1
SMILES
OCC1OC(C(O)C1O)N1C2=C(N=C(O)N2)C(O)=NC1=O
InChI Identifier
InChI=1S/C10H12N4O7/c15-1-2-4(16)5(17)8(21-2)14-6-3(11-9(19)12-6)7(18)13-10(14)20/h2,4-5,8,15-17H,1H2,(H2,11,12,19)(H,13,18,20)
InChI KeyMFGPUMDDJCTHOI-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassImidazopyrimidines
Sub ClassPurines and purine derivatives
Direct ParentXanthines
Alternative Parents
Substituents
  • Glycosyl compound
  • N-glycosyl compound
  • Xanthine
  • Pentose monosaccharide
  • Purinone
  • Alkaloid or derivatives
  • Hydroxypyrimidine
  • Pyrimidone
  • Monosaccharide
  • Pyrimidine
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Azole
  • Imidazole
  • Secondary alcohol
  • Azacycle
  • Oxacycle
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Primary alcohol
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point220 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility37.2 g/LALOGPS
logP-1.6ALOGPS
logP-2.1ChemAxon
logS-0.91ALOGPS
pKa (Strongest Acidic)6.88ChemAxon
pKa (Strongest Basic)0.63ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area171.73 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity62.2 m³·mol⁻¹ChemAxon
Polarizability26.46 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+167.25731661259
DarkChem[M-H]-166.84831661259
DeepCCS[M+H]+166.66330932474
DeepCCS[M-H]-164.30530932474
DeepCCS[M-2H]-197.19230932474
DeepCCS[M+Na]+172.75730932474
AllCCS[M+H]+166.132859911
AllCCS[M+H-H2O]+162.732859911
AllCCS[M+NH4]+169.232859911
AllCCS[M+Na]+170.132859911
AllCCS[M-H]-162.832859911
AllCCS[M+Na-2H]-162.232859911
AllCCS[M+HCOO]-161.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
beta-D-3-Ribofuranosyluric acidOCC1OC(C(O)C1O)N1C2=C(N=C(O)N2)C(O)=NC1=O4089.6Standard polar33892256
beta-D-3-Ribofuranosyluric acidOCC1OC(C(O)C1O)N1C2=C(N=C(O)N2)C(O)=NC1=O2068.9Standard non polar33892256
beta-D-3-Ribofuranosyluric acidOCC1OC(C(O)C1O)N1C2=C(N=C(O)N2)C(O)=NC1=O3021.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
beta-D-3-Ribofuranosyluric acid,1TMS,isomer #1C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O)=N3)C(O)C1O3033.0Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,1TMS,isomer #2C[Si](C)(C)OC1C(O)C(CO)OC1N1C(=O)N=C(O)C2=C1[NH]C(O)=N23051.5Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,1TMS,isomer #3C[Si](C)(C)OC1C(CO)OC(N2C(=O)N=C(O)C3=C2[NH]C(O)=N3)C1O3070.0Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,1TMS,isomer #4C[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O)C1O)C(=O)N=C2O2979.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,1TMS,isomer #5C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O)C2=C1N=C(O)[NH]22946.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,1TMS,isomer #6C[Si](C)(C)N1C(O)=NC2=C1N(C1OC(CO)C(O)C1O)C(=O)N=C2O3013.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #1C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2[NH]C(O)=N3)C(O)C1O2907.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #10C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C)C2O)C2=C1N=C(O)[NH]22950.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #11C[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O[Si](C)(C)C)C1O)C(=O)N=C2O2968.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #12C[Si](C)(C)OC1C(CO)OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C)C(O)=N3)C1O3030.4Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #13C[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O)C1O)C(=O)N=C2O[Si](C)(C)C2826.2Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #14C[Si](C)(C)OC1=NC2=C(N1[Si](C)(C)C)N(C1OC(CO)C(O)C1O)C(=O)N=C2O2987.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #15C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O)C2=C1N=C(O)N2[Si](C)(C)C2908.0Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #2C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O[Si](C)(C)C)=N3)C(O)C1O2908.4Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #3C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O)=N3)C(O[Si](C)(C)C)C1O3016.3Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #4C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O)=N3)C(O)C1O[Si](C)(C)C3028.5Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #5C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C)C(O)=N3)C(O)C1O2989.5Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #6C[Si](C)(C)OC1C(CO)OC(N2C(=O)N=C(O)C3=C2[NH]C(O)=N3)C1O[Si](C)(C)C3058.2Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #7C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O[Si](C)(C)C)C2=C1N=C(O)[NH]22929.4Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #8C[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O)C1O[Si](C)(C)C)C(=O)N=C2O2949.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TMS,isomer #9C[Si](C)(C)OC1C(O)C(CO)OC1N1C(=O)N=C(O)C2=C1N([Si](C)(C)C)C(O)=N23010.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #1C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2[NH]C(O[Si](C)(C)C)=N3)C(O)C1O2772.5Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #10C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C)C(O)=N3)C(O)C1O[Si](C)(C)C2937.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #11C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C2=C1N=C(O)[NH]22880.4Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #12C[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)N=C2O2883.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #13C[Si](C)(C)OC1C(CO)OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C)C(O)=N3)C1O[Si](C)(C)C2952.5Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #14C[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O)C1O[Si](C)(C)C)C(=O)N=C2O[Si](C)(C)C2782.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #15C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O[Si](C)(C)C)C2=C1N=C(O)N2[Si](C)(C)C2869.0Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #16C[Si](C)(C)OC1=NC2=C(N1[Si](C)(C)C)N(C1OC(CO)C(O)C1O[Si](C)(C)C)C(=O)N=C2O2920.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #17C[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O[Si](C)(C)C)C1O)C(=O)N=C2O[Si](C)(C)C2811.4Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #18C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C)C2O)C2=C1N=C(O)N2[Si](C)(C)C2902.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #19C[Si](C)(C)OC1=NC2=C(N1[Si](C)(C)C)N(C1OC(CO)C(O[Si](C)(C)C)C1O)C(=O)N=C2O2940.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #2C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2[NH]C(O)=N3)C(O[Si](C)(C)C)C1O2854.2Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #20C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O)C2=C1N=C(O[Si](C)(C)C)N2[Si](C)(C)C2852.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #3C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2[NH]C(O)=N3)C(O)C1O[Si](C)(C)C2876.2Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #4C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2N([Si](C)(C)C)C(O)=N3)C(O)C1O2865.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #5C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O[Si](C)(C)C)=N3)C(O[Si](C)(C)C)C1O2854.0Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #6C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O[Si](C)(C)C)=N3)C(O)C1O[Si](C)(C)C2877.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #7C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C)C(O[Si](C)(C)C)=N3)C(O)C1O2909.2Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #8C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O)=N3)C(O[Si](C)(C)C)C1O[Si](C)(C)C2971.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TMS,isomer #9C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C)C(O)=N3)C(O[Si](C)(C)C)C1O2908.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #1C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2[NH]C(O[Si](C)(C)C)=N3)C(O[Si](C)(C)C)C1O2761.2Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #10C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C)C(O)=N3)C(O[Si](C)(C)C)C1O[Si](C)(C)C2887.1Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #11C[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)N=C2O[Si](C)(C)C2772.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #12C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C2=C1N=C(O)N2[Si](C)(C)C2862.3Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #13C[Si](C)(C)OC1=NC2=C(N1[Si](C)(C)C)N(C1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)N=C2O2877.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #14C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O[Si](C)(C)C)C2=C1N=C(O[Si](C)(C)C)N2[Si](C)(C)C2826.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #15C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C)C2O)C2=C1N=C(O[Si](C)(C)C)N2[Si](C)(C)C2864.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #2C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2[NH]C(O[Si](C)(C)C)=N3)C(O)C1O[Si](C)(C)C2765.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #3C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2N([Si](C)(C)C)C(O[Si](C)(C)C)=N3)C(O)C1O2816.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #4C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2[NH]C(O)=N3)C(O[Si](C)(C)C)C1O[Si](C)(C)C2843.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #5C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2N([Si](C)(C)C)C(O)=N3)C(O[Si](C)(C)C)C1O2838.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #6C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2N([Si](C)(C)C)C(O)=N3)C(O)C1O[Si](C)(C)C2859.1Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #7C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O[Si](C)(C)C)=N3)C(O[Si](C)(C)C)C1O[Si](C)(C)C2848.2Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #8C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C)C(O[Si](C)(C)C)=N3)C(O[Si](C)(C)C)C1O2851.0Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TMS,isomer #9C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C)C(O[Si](C)(C)C)=N3)C(O)C1O[Si](C)(C)C2878.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,5TMS,isomer #1C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2[NH]C(O[Si](C)(C)C)=N3)C(O[Si](C)(C)C)C1O[Si](C)(C)C2767.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,5TMS,isomer #2C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2N([Si](C)(C)C)C(O[Si](C)(C)C)=N3)C(O[Si](C)(C)C)C1O2820.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,5TMS,isomer #3C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2N([Si](C)(C)C)C(O[Si](C)(C)C)=N3)C(O)C1O[Si](C)(C)C2840.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,5TMS,isomer #4C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2N([Si](C)(C)C)C(O)=N3)C(O[Si](C)(C)C)C1O[Si](C)(C)C2852.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,5TMS,isomer #5C[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C)C(O[Si](C)(C)C)=N3)C(O[Si](C)(C)C)C1O[Si](C)(C)C2850.2Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,5TMS,isomer #6C[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C2=C1N=C(O[Si](C)(C)C)N2[Si](C)(C)C2842.5Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,6TMS,isomer #1C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2N([Si](C)(C)C)C(O[Si](C)(C)C)=N3)C(O[Si](C)(C)C)C1O[Si](C)(C)C2841.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,6TMS,isomer #1C[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C)C3=C2N([Si](C)(C)C)C(O[Si](C)(C)C)=N3)C(O[Si](C)(C)C)C1O[Si](C)(C)C2919.9Standard non polar33892256
beta-D-3-Ribofuranosyluric acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O)=N3)C(O)C1O3289.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC1N1C(=O)N=C(O)C2=C1[NH]C(O)=N23318.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C(=O)N=C(O)C3=C2[NH]C(O)=N3)C1O3323.4Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O)C1O)C(=O)N=C2O3176.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O)C2=C1N=C(O)[NH]23167.0Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C(O)=NC2=C1N(C1OC(CO)C(O)C1O)C(=O)N=C2O3278.4Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2[NH]C(O)=N3)C(O)C1O3371.3Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C2=C1N=C(O)[NH]23396.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)N=C2O3377.4Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C(C)(C)C)C(O)=N3)C1O3488.2Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O)C1O)C(=O)N=C2O[Si](C)(C)C(C)(C)C3268.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=NC2=C(N1[Si](C)(C)C(C)(C)C)N(C1OC(CO)C(O)C1O)C(=O)N=C2O3408.1Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O)C2=C1N=C(O)N2[Si](C)(C)C(C)(C)C3370.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O[Si](C)(C)C(C)(C)C)=N3)C(O)C1O3345.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O)=N3)C(O[Si](C)(C)C(C)(C)C)C1O3516.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O)=N3)C(O)C1O[Si](C)(C)C(C)(C)C3515.4Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C(C)(C)C)C(O)=N3)C(O)C1O3449.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C(=O)N=C(O)C3=C2[NH]C(O)=N3)C1O[Si](C)(C)C(C)(C)C3532.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C2=C1N=C(O)[NH]23391.2Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)N=C2O3365.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC1N1C(=O)N=C(O)C2=C1N([Si](C)(C)C(C)(C)C)C(O)=N23480.4Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2[NH]C(O[Si](C)(C)C(C)(C)C)=N3)C(O)C1O3441.1Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C(C)(C)C)C(O)=N3)C(O)C1O[Si](C)(C)C(C)(C)C3606.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C2=C1N=C(O)[NH]23494.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)N=C2O3490.3Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C(C)(C)C)C(O)=N3)C1O[Si](C)(C)C(C)(C)C3610.1Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)N=C2O[Si](C)(C)C(C)(C)C3447.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C2=C1N=C(O)N2[Si](C)(C)C(C)(C)C3565.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=NC2=C(N1[Si](C)(C)C(C)(C)C)N(C1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)N=C2O3561.4Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)N=C2O[Si](C)(C)C(C)(C)C3465.5Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C2=C1N=C(O)N2[Si](C)(C)C(C)(C)C3575.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=NC2=C(N1[Si](C)(C)C(C)(C)C)N(C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)N=C2O3568.0Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2[NH]C(O)=N3)C(O[Si](C)(C)C(C)(C)C)C1O3498.0Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O)C2=C1N=C(O[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C3497.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2[NH]C(O)=N3)C(O)C1O[Si](C)(C)C(C)(C)C3511.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2N([Si](C)(C)C(C)(C)C)C(O)=N3)C(O)C1O3552.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O[Si](C)(C)C(C)(C)C)=N3)C(O[Si](C)(C)C(C)(C)C)C1O3494.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O[Si](C)(C)C(C)(C)C)=N3)C(O)C1O[Si](C)(C)C(C)(C)C3508.0Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N3)C(O)C1O3556.4Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O)=N3)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3631.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C(C)(C)C)C(O)=N3)C(O[Si](C)(C)C(C)(C)C)C1O3599.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2[NH]C(O[Si](C)(C)C(C)(C)C)=N3)C(O[Si](C)(C)C(C)(C)C)C1O3566.1Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C(C)(C)C)C(O)=N3)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3697.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=NC2=C([NH]1)N(C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)N=C2O[Si](C)(C)C(C)(C)C3568.0Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C2=C1N=C(O)N2[Si](C)(C)C(C)(C)C3697.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=NC2=C(N1[Si](C)(C)C(C)(C)C)N(C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)N=C2O3642.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C2=C1N=C(O[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C3611.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C2=C1N=C(O[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C3630.2Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2[NH]C(O[Si](C)(C)C(C)(C)C)=N3)C(O)C1O[Si](C)(C)C(C)(C)C3583.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2N([Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N3)C(O)C1O3610.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2[NH]C(O)=N3)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3590.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2N([Si](C)(C)C(C)(C)C)C(O)=N3)C(O[Si](C)(C)C(C)(C)C)C1O3693.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2N([Si](C)(C)C(C)(C)C)C(O)=N3)C(O)C1O[Si](C)(C)C(C)(C)C3713.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2[NH]C(O[Si](C)(C)C(C)(C)C)=N3)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3609.8Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N3)C(O[Si](C)(C)C(C)(C)C)C1O3651.4Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N3)C(O)C1O[Si](C)(C)C(C)(C)C3668.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2[NH]C(O[Si](C)(C)C(C)(C)C)=N3)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3687.9Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2N([Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N3)C(O[Si](C)(C)C(C)(C)C)C1O3731.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2N([Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N3)C(O)C1O[Si](C)(C)C(C)(C)C3751.7Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O[Si](C)(C)C(C)(C)C)C3=C2N([Si](C)(C)C(C)(C)C)C(O)=N3)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3808.6Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(N2C(=O)N=C(O)C3=C2N([Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N3)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3740.0Semi standard non polar33892256
beta-D-3-Ribofuranosyluric acid,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=NC(=O)N(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C2=C1N=C(O[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C3731.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - beta-D-3-Ribofuranosyluric acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0aec-9150000000-fb888828c756560208ee2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - beta-D-3-Ribofuranosyluric acid GC-MS (5 TMS) - 70eV, Positivesplash10-0002-2110049000-20f4722fa97e48333c4d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - beta-D-3-Ribofuranosyluric acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - beta-D-3-Ribofuranosyluric acid 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 - beta-D-3-Ribofuranosyluric acid 10V, Positive-QTOFsplash10-014i-0900000000-09df97559d8f501479432016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-3-Ribofuranosyluric acid 20V, Positive-QTOFsplash10-014i-0900000000-f8347cf779eca32c8a3e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-3-Ribofuranosyluric acid 40V, Positive-QTOFsplash10-0v00-2900000000-bb0a9accae721cce6d552016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-3-Ribofuranosyluric acid 10V, Negative-QTOFsplash10-014i-0790000000-96567db18724768ab1f32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-3-Ribofuranosyluric acid 20V, Negative-QTOFsplash10-014i-1920000000-8f5d7290cbfc306d196f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-3-Ribofuranosyluric acid 40V, Negative-QTOFsplash10-00dl-7900000000-e5c632f90a5402c029e62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-3-Ribofuranosyluric acid 10V, Negative-QTOFsplash10-000t-0190000000-8590aa1366f507f726ad2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-3-Ribofuranosyluric acid 20V, Negative-QTOFsplash10-014j-0920000000-1f4fbd99b740381e8f442021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-3-Ribofuranosyluric acid 40V, Negative-QTOFsplash10-01bc-1900000000-c3334472af3db16c32082021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-3-Ribofuranosyluric acid 10V, Positive-QTOFsplash10-0gb9-0905000000-7c0cefd31976816a1f162021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-3-Ribofuranosyluric acid 20V, Positive-QTOFsplash10-014i-0911000000-641c842b33032749c1032021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-D-3-Ribofuranosyluric acid 40V, Positive-QTOFsplash10-0gb9-1900000000-f292951cb3bb577fb61d2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleEpithelial ovarian cancer details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB001177
KNApSAcK IDNot Available
Chemspider ID35013099
KEGG Compound IDC05513
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131750925
PDB IDNot Available
ChEBI ID50547
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. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .