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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2013-05-09 21:15:46 UTC
Update Date2022-03-07 03:17:42 UTC
HMDB IDHMDB0060282
Secondary Accession Numbers
  • HMDB60282
Metabolite Identification
Common NameUridine 3'-monophosphate
DescriptionUridine 3'-monophosphate, also known as uridine 3'-phosphoric acid or 3'-uridylic acid, belongs to the class of organic compounds known as ribonucleoside 3'-phosphates. These are ribonucleosides that contain a phosphate group attached to the C-3 carbon of the ribose or deoxyribose moiety. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. Uridine 3'-monophosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Uridine 3'-monophosphate exists in all living organisms, ranging from bacteria to humans. A pyrimidine ribonucleoside 3'-monophosphate having uracil as the nucleobase.
Structure
Data?1568916227
Synonyms
ValueSource
Uridine 3'-phosphateChEBI
Uridine 3'-phosphoric acidGenerator
Uridine 3'-monophosphoric acidGenerator
3'-Uridylic acidHMDB
3'-UMPHMDB
3’-UMPHMDB
Uridine 3'-(dihydrogen phosphate)HMDB
Uridine 3’-(dihydrogen phosphate)HMDB
Uridine 3’-monophosphateHMDB
Uridine 3’-phosphateHMDB
Uridine 3’-phosphoric acidHMDB
Uridine 3'-monophosphateChEBI, KEGG
Chemical FormulaC9H13N2O9P
Average Molecular Weight324.1813
Monoisotopic Molecular Weight324.035866536
IUPAC Name{[(2R,3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid
Traditional Namedisodium salt 3'-uridylic acid
CAS Registry Number84-53-7
SMILES
[H][C@]1(CO)O[C@@]([H])(N2C=CC(O)=NC2=O)[C@]([H])(O)[C@]1([H])OP(O)(O)=O
InChI Identifier
InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChI KeyFOGRQMPFHUHIGU-XVFCMESISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as ribonucleoside 3'-phosphates. These are ribonucleosides that contain a phosphate group attached to the C-3 carbon of the ribose or deoxyribose moiety. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassRibonucleoside 3'-phosphates
Sub ClassNot Available
Direct ParentRibonucleoside 3'-phosphates
Alternative Parents
Substituents
  • Ribonucleoside 3'-phosphate
  • Pentose phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Hydroxypyrimidine
  • Pyrimidone
  • Monoalkyl phosphate
  • Hydropyrimidine
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Pyrimidine
  • Alkyl phosphate
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Azacycle
  • Alcohol
  • Primary alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location

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 Solubility15.8 g/LALOGPS
logP-1.8ALOGPS
logP-2.2ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)0.87ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area169.35 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity63.76 m³·mol⁻¹ChemAxon
Polarizability26.56 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
DarkChem[M+H]+171.98631661259
DarkChem[M-H]-165.92931661259
DeepCCS[M+H]+162.87830932474
DeepCCS[M-H]-160.48230932474
DeepCCS[M-2H]-193.75730932474
DeepCCS[M+Na]+170.02330932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Uridine 3'-monophosphate[H][C@]1(CO)O[C@@]([H])(N2C=CC(O)=NC2=O)[C@]([H])(O)[C@]1([H])OP(O)(O)=O3238.1Standard polar33892256
Uridine 3'-monophosphate[H][C@]1(CO)O[C@@]([H])(N2C=CC(O)=NC2=O)[C@]([H])(O)[C@]1([H])OP(O)(O)=O2311.1Standard non polar33892256
Uridine 3'-monophosphate[H][C@]1(CO)O[C@@]([H])(N2C=CC(O)=NC2=O)[C@]([H])(O)[C@]1([H])OP(O)(O)=O3023.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Uridine 3'-monophosphate,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O)O2714.4Semi standard non polar33892256
Uridine 3'-monophosphate,1TMS,isomer #2C[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)C=C12649.1Semi standard non polar33892256
Uridine 3'-monophosphate,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1N1C=CC(O)=NC1=O2692.5Semi standard non polar33892256
Uridine 3'-monophosphate,1TMS,isomer #4C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](CO)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O2803.1Semi standard non polar33892256
Uridine 3'-monophosphate,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O)O2648.3Semi standard non polar33892256
Uridine 3'-monophosphate,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O2629.9Semi standard non polar33892256
Uridine 3'-monophosphate,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C2734.1Semi standard non polar33892256
Uridine 3'-monophosphate,2TMS,isomer #4C[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O[Si](C)(C)C)C=C12615.4Semi standard non polar33892256
Uridine 3'-monophosphate,2TMS,isomer #5C[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]2O)C=C12725.0Semi standard non polar33892256
Uridine 3'-monophosphate,2TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](CO)O[C@H]1N1C=CC(O)=NC1=O2684.0Semi standard non polar33892256
Uridine 3'-monophosphate,2TMS,isomer #7C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](CO)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O)O[Si](C)(C)C2775.7Semi standard non polar33892256
Uridine 3'-monophosphate,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O2619.8Semi standard non polar33892256
Uridine 3'-monophosphate,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C2698.8Semi standard non polar33892256
Uridine 3'-monophosphate,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C2654.0Semi standard non polar33892256
Uridine 3'-monophosphate,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2713.3Semi standard non polar33892256
Uridine 3'-monophosphate,3TMS,isomer #5C[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C12685.0Semi standard non polar33892256
Uridine 3'-monophosphate,3TMS,isomer #6C[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]2O)C=C12734.7Semi standard non polar33892256
Uridine 3'-monophosphate,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](CO)O[C@H]1N1C=CC(O)=NC1=O2702.1Semi standard non polar33892256
Uridine 3'-monophosphate,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C2701.8Semi standard non polar33892256
Uridine 3'-monophosphate,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C2806.8Standard non polar33892256
Uridine 3'-monophosphate,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C3437.8Standard polar33892256
Uridine 3'-monophosphate,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2720.2Semi standard non polar33892256
Uridine 3'-monophosphate,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2833.8Standard non polar33892256
Uridine 3'-monophosphate,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3294.0Standard polar33892256
Uridine 3'-monophosphate,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2695.2Semi standard non polar33892256
Uridine 3'-monophosphate,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2877.6Standard non polar33892256
Uridine 3'-monophosphate,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3256.8Standard polar33892256
Uridine 3'-monophosphate,4TMS,isomer #4C[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C12739.4Semi standard non polar33892256
Uridine 3'-monophosphate,4TMS,isomer #4C[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C12823.3Standard non polar33892256
Uridine 3'-monophosphate,4TMS,isomer #4C[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C13278.9Standard polar33892256
Uridine 3'-monophosphate,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2732.1Semi standard non polar33892256
Uridine 3'-monophosphate,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2805.6Standard non polar33892256
Uridine 3'-monophosphate,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3153.4Standard polar33892256
Uridine 3'-monophosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O)O2974.0Semi standard non polar33892256
Uridine 3'-monophosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)C=C12943.5Semi standard non polar33892256
Uridine 3'-monophosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1N1C=CC(O)=NC1=O2956.6Semi standard non polar33892256
Uridine 3'-monophosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](CO)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O3039.8Semi standard non polar33892256
Uridine 3'-monophosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O)O3113.1Semi standard non polar33892256
Uridine 3'-monophosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O3072.3Semi standard non polar33892256
Uridine 3'-monophosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C3178.6Semi standard non polar33892256
Uridine 3'-monophosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13109.8Semi standard non polar33892256
Uridine 3'-monophosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C13183.1Semi standard non polar33892256
Uridine 3'-monophosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N1C=CC(O)=NC1=O3163.8Semi standard non polar33892256
Uridine 3'-monophosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](CO)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O)O[Si](C)(C)C(C)(C)C3220.8Semi standard non polar33892256
Uridine 3'-monophosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O3280.2Semi standard non polar33892256
Uridine 3'-monophosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C3359.7Semi standard non polar33892256
Uridine 3'-monophosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C3299.4Semi standard non polar33892256
Uridine 3'-monophosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3370.9Semi standard non polar33892256
Uridine 3'-monophosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13349.7Semi standard non polar33892256
Uridine 3'-monophosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C13369.9Semi standard non polar33892256
Uridine 3'-monophosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N1C=CC(O)=NC1=O3356.4Semi standard non polar33892256
Uridine 3'-monophosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C3529.3Semi standard non polar33892256
Uridine 3'-monophosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C3482.7Standard non polar33892256
Uridine 3'-monophosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C3671.5Standard polar33892256
Uridine 3'-monophosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3546.6Semi standard non polar33892256
Uridine 3'-monophosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3448.0Standard non polar33892256
Uridine 3'-monophosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3581.7Standard polar33892256
Uridine 3'-monophosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3496.4Semi standard non polar33892256
Uridine 3'-monophosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3523.3Standard non polar33892256
Uridine 3'-monophosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3559.7Standard polar33892256
Uridine 3'-monophosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13539.5Semi standard non polar33892256
Uridine 3'-monophosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13464.0Standard non polar33892256
Uridine 3'-monophosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C13563.8Standard polar33892256
Uridine 3'-monophosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3698.2Semi standard non polar33892256
Uridine 3'-monophosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3532.3Standard non polar33892256
Uridine 3'-monophosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=CC(O[Si](C)(C)C(C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3530.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Uridine 3'-monophosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9700000000-234bd44f3d34906cbece2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Uridine 3'-monophosphate GC-MS (3 TMS) - 70eV, Positivesplash10-0002-9421320000-9c4cf530cc9624248dad2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Uridine 3'-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 - Uridine 3'-monophosphate 10V, Positive-QTOFsplash10-03di-1901000000-307223cc9d7e5ca2c6ee2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Uridine 3'-monophosphate 20V, Positive-QTOFsplash10-03di-4900000000-62b17f2d271511410cf42015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Uridine 3'-monophosphate 40V, Positive-QTOFsplash10-03di-9800000000-50f9fd6d43d9e5e163112015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Uridine 3'-monophosphate 10V, Negative-QTOFsplash10-03mi-7944000000-2b222aece47b6e9a695c2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Uridine 3'-monophosphate 20V, Negative-QTOFsplash10-01tc-9311000000-cca262c231169b2343792015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Uridine 3'-monophosphate 40V, Negative-QTOFsplash10-004i-9000000000-82620f8bebfb8aa3568d2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Uridine 3'-monophosphate 10V, Positive-QTOFsplash10-03fr-0957000000-a7d0f49263bb2b8e19732021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Uridine 3'-monophosphate 20V, Positive-QTOFsplash10-03di-5914000000-d2595f9fec12f45442c72021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Uridine 3'-monophosphate 40V, Positive-QTOFsplash10-03di-4900000000-bf51097d1da03b19fd1c2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Uridine 3'-monophosphate 10V, Negative-QTOFsplash10-00di-0009000000-a27b730787a7cecdb7c62021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Uridine 3'-monophosphate 20V, Negative-QTOFsplash10-004i-9010000000-031f5fae06b2768c7c4d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Uridine 3'-monophosphate 40V, Negative-QTOFsplash10-004i-9000000000-08ff6e231aab99a21c752021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Feces
Tissue Locations
  • Placenta
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Metastatic melanoma
details
Associated Disorders and Diseases
Disease References
Metastatic melanoma
  1. Frankel AE, Coughlin LA, Kim J, Froehlich TW, Xie Y, Frenkel EP, Koh AY: Metagenomic Shotgun Sequencing and Unbiased Metabolomic Profiling Identify Specific Human Gut Microbiota and Metabolites Associated with Immune Checkpoint Therapy Efficacy in Melanoma Patients. Neoplasia. 2017 Oct;19(10):848-855. doi: 10.1016/j.neo.2017.08.004. Epub 2017 Sep 15. [PubMed:28923537 ]
Associated OMIM IDsNone
DrugBank IDDB02714
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID91753
KEGG Compound IDC01368
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound101543
PDB IDNot Available
ChEBI ID28895
Food Biomarker OntologyNot Available
VMH ID3UMP
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]
  2. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]