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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:44:46 UTC
HMDB IDHMDB0000767
Secondary Accession Numbers
  • HMDB0006075
  • HMDB00767
  • HMDB06075
Metabolite Identification
Common NamePseudouridine
DescriptionPseudouridine, also known as psi-uridine or 5-ribosyluracil, belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides, such as phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides. Pseudouridine specifically has its uracil attached via a carbon-carbon instead of a nitrogen-carbon glycosidic bond to the ribofuranose. It is the most prevalent of the over one hundred different modified nucleosides found in RNA (PMID: 17113994 ). Pseudouridine is a solid that is soluble in water. Pseudouridine exists in all living species, ranging from bacteria to humans, and is in all classes of RNA except mRNA. It is formed by enzymes called pseudouridine synthases, which post-transcriptionally isomerize specific uridine residues in RNA.
Structure
Data?1582752155
Synonyms
ValueSource
(1S)-1,4-Anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitolChEBI
5-(beta-D-Ribofuranosyl)uracilChEBI
beta-PseudouridineChEBI
pChEBI
Psi-uridineChEBI
5-(b-D-Ribofuranosyl)uracilGenerator
5-(Β-D-ribofuranosyl)uracilGenerator
b-PseudouridineGenerator
Β-pseudouridineGenerator
5-(b-delta-Ribofuranosyl)uracilHMDB
5-b-D-Ribofuranosyl-uracilHMDB
5-beta-delta-Ribofuranosyl-uracilHMDB
5-RibosyluracilHMDB
b-D-PseudouridineHMDB
beta-delta-PseudouridineHMDB
Pseudouridine CHMDB
Y-uridineHMDB
5-beta-D-Ribofuranosyl-2,4(1H,3H)-pyrimidinedioneHMDB
5-Β-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedioneHMDB
beta-D-PseudouridineHMDB
Β-D-pseudouridineHMDB
Ψ-uridineHMDB
PseudouridineHMDB
Chemical FormulaC9H12N2O6
Average Molecular Weight244.2014
Monoisotopic Molecular Weight244.069536126
IUPAC Name5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Traditional Nameβ-pseudouridine
CAS Registry Number1445-07-4
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC(=O)NC1=O
InChI Identifier
InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1
InChI KeyPTJWIQPHWPFNBW-GBNDHIKLSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassNucleoside and nucleotide analogues
Sub ClassNot Available
Direct ParentNucleoside and nucleotide analogues
Alternative Parents
Substituents
  • C-glycosyl compound
  • Glycosyl compound
  • Pentose monosaccharide
  • Pyrimidone
  • Hydropyrimidine
  • Monosaccharide
  • Pyrimidine
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Vinylogous amide
  • Lactam
  • Secondary alcohol
  • Urea
  • Azacycle
  • Oxacycle
  • Ether
  • Dialkyl ether
  • Organoheterocyclic compound
  • Primary alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Alcohol
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-MetCCS_train_neg145.23330932474
[M-H]-Not Available148.0http://allccs.zhulab.cn/database/detail?ID=AllCCS00000107
Predicted Molecular Properties
PropertyValueSource
Water Solubility63.8 g/LALOGPS
logP-2ALOGPS
logP-3.1ChemAxon
logS-0.58ALOGPS
pKa (Strongest Acidic)8.66ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area128.12 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity52.44 m³·mol⁻¹ChemAxon
Polarizability21.79 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]+155.24631661259
DarkChem[M-H]-150.64931661259
AllCCS[M+H]+155.33832859911
AllCCS[M-H]-151.60132859911
DeepCCS[M+H]+157.63630932474
DeepCCS[M-H]-155.2430932474
DeepCCS[M-2H]-188.12530932474
DeepCCS[M+Na]+163.54830932474
AllCCS[M+H]+155.332859911
AllCCS[M+H-H2O]+151.632859911
AllCCS[M+NH4]+158.832859911
AllCCS[M+Na]+159.832859911
AllCCS[M-H]-151.632859911
AllCCS[M+Na-2H]-151.532859911
AllCCS[M+HCOO]-151.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PseudouridineOC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC(=O)NC1=O3282.8Standard polar33892256
PseudouridineOC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC(=O)NC1=O2232.9Standard non polar33892256
PseudouridineOC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC(=O)NC1=O2695.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Pseudouridine,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)[NH]C2=O)[C@H](O)[C@@H]1O2327.9Semi standard non polar33892256
Pseudouridine,1TMS,isomer #2C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](CO)[C@H]1O2333.3Semi standard non polar33892256
Pseudouridine,1TMS,isomer #3C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@@H]1CO2346.0Semi standard non polar33892256
Pseudouridine,1TMS,isomer #4C[Si](C)(C)N1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)[NH]C1=O2374.8Semi standard non polar33892256
Pseudouridine,1TMS,isomer #5C[Si](C)(C)N1C(=O)[NH]C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O2426.1Semi standard non polar33892256
Pseudouridine,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)[NH]C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O2341.0Semi standard non polar33892256
Pseudouridine,2TMS,isomer #10C[Si](C)(C)N1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N([Si](C)(C)C)C1=O2429.6Semi standard non polar33892256
Pseudouridine,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)[NH]C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C2341.3Semi standard non polar33892256
Pseudouridine,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O2391.6Semi standard non polar33892256
Pseudouridine,2TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O2412.0Semi standard non polar33892256
Pseudouridine,2TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](CO)[C@H]1O[Si](C)(C)C2333.0Semi standard non polar33892256
Pseudouridine,2TMS,isomer #6C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](CO)[C@H]1O2393.8Semi standard non polar33892256
Pseudouridine,2TMS,isomer #7C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](CO)[C@H]1O2407.2Semi standard non polar33892256
Pseudouridine,2TMS,isomer #8C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@@H]1CO2403.5Semi standard non polar33892256
Pseudouridine,2TMS,isomer #9C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1CO2415.5Semi standard non polar33892256
Pseudouridine,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)[NH]C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2304.2Semi standard non polar33892256
Pseudouridine,3TMS,isomer #10C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@@H]1CO2475.1Semi standard non polar33892256
Pseudouridine,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O2413.0Semi standard non polar33892256
Pseudouridine,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O2415.5Semi standard non polar33892256
Pseudouridine,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C2406.4Semi standard non polar33892256
Pseudouridine,3TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C2410.4Semi standard non polar33892256
Pseudouridine,3TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O2472.5Semi standard non polar33892256
Pseudouridine,3TMS,isomer #7C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)O[C@H](CO)[C@H]1O[Si](C)(C)C2406.6Semi standard non polar33892256
Pseudouridine,3TMS,isomer #8C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](CO)[C@H]1O[Si](C)(C)C2410.8Semi standard non polar33892256
Pseudouridine,3TMS,isomer #9C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](CO)[C@H]1O2473.0Semi standard non polar33892256
Pseudouridine,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2422.1Semi standard non polar33892256
Pseudouridine,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2664.9Standard non polar33892256
Pseudouridine,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)[NH]C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2776.3Standard polar33892256
Pseudouridine,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2406.3Semi standard non polar33892256
Pseudouridine,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2630.5Standard non polar33892256
Pseudouridine,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2620.7Standard polar33892256
Pseudouridine,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O2526.8Semi standard non polar33892256
Pseudouridine,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O2679.1Standard non polar33892256
Pseudouridine,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O2840.6Standard polar33892256
Pseudouridine,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C2518.3Semi standard non polar33892256
Pseudouridine,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C2677.4Standard non polar33892256
Pseudouridine,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C2804.6Standard polar33892256
Pseudouridine,4TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](CO)[C@H]1O[Si](C)(C)C2508.8Semi standard non polar33892256
Pseudouridine,4TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](CO)[C@H]1O[Si](C)(C)C2650.1Standard non polar33892256
Pseudouridine,4TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)O[C@H](CO)[C@H]1O[Si](C)(C)C2772.7Standard polar33892256
Pseudouridine,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2532.2Semi standard non polar33892256
Pseudouridine,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2684.7Standard non polar33892256
Pseudouridine,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2640.2Standard polar33892256
Pseudouridine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)[NH]C2=O)[C@H](O)[C@@H]1O2584.6Semi standard non polar33892256
Pseudouridine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](CO)[C@H]1O2588.9Semi standard non polar33892256
Pseudouridine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@@H]1CO2595.6Semi standard non polar33892256
Pseudouridine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)[NH]C1=O2682.8Semi standard non polar33892256
Pseudouridine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C(=O)[NH]C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O2657.1Semi standard non polar33892256
Pseudouridine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)[NH]C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2801.9Semi standard non polar33892256
Pseudouridine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N([Si](C)(C)C(C)(C)C)C1=O2908.3Semi standard non polar33892256
Pseudouridine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)[NH]C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2794.2Semi standard non polar33892256
Pseudouridine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O2867.9Semi standard non polar33892256
Pseudouridine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O2864.8Semi standard non polar33892256
Pseudouridine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)[NH]C2=O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C2790.0Semi standard non polar33892256
Pseudouridine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](CO)[C@H]1O2871.0Semi standard non polar33892256
Pseudouridine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](CO)[C@H]1O2861.8Semi standard non polar33892256
Pseudouridine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@@H]1CO2875.3Semi standard non polar33892256
Pseudouridine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1CO2869.5Semi standard non polar33892256
Pseudouridine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)[NH]C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2990.7Semi standard non polar33892256
Pseudouridine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@@H]1CO3155.8Semi standard non polar33892256
Pseudouridine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3082.6Semi standard non polar33892256
Pseudouridine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3062.4Semi standard non polar33892256
Pseudouridine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3083.1Semi standard non polar33892256
Pseudouridine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3063.7Semi standard non polar33892256
Pseudouridine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O3138.7Semi standard non polar33892256
Pseudouridine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C3078.3Semi standard non polar33892256
Pseudouridine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C3052.6Semi standard non polar33892256
Pseudouridine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](CO)[C@H]1O3144.5Semi standard non polar33892256
Pseudouridine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3265.7Semi standard non polar33892256
Pseudouridine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3427.5Standard non polar33892256
Pseudouridine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)[NH]C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3140.9Standard polar33892256
Pseudouridine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3237.7Semi standard non polar33892256
Pseudouridine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3374.7Standard non polar33892256
Pseudouridine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C[NH]C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3034.8Standard polar33892256
Pseudouridine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3341.0Semi standard non polar33892256
Pseudouridine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3430.3Standard non polar33892256
Pseudouridine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3153.8Standard polar33892256
Pseudouridine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3337.5Semi standard non polar33892256
Pseudouridine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3430.2Standard non polar33892256
Pseudouridine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3126.3Standard polar33892256
Pseudouridine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C3352.2Semi standard non polar33892256
Pseudouridine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C3412.3Standard non polar33892256
Pseudouridine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C3101.6Standard polar33892256
Pseudouridine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3531.2Semi standard non polar33892256
Pseudouridine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3543.2Standard non polar33892256
Pseudouridine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=CN([Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3106.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0unc-7930000000-a1e7f343c88a63ac19762016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (3 TMS) - 70eV, Positivesplash10-0fi0-3494100000-8d726ed412554c1f92f02017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pseudouridine GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine LC-ESI-IT , negative-QTOFsplash10-0udi-0900000000-6ade42aaa885371e176c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine LC-ESI-QTOF 10V, positive-QTOFsplash10-0a4i-0190000000-129f123affa0ecbf7a592020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine LC-ESI-QTOF 20V, positive-QTOFsplash10-052f-0910000000-302fbdef606070bd5a672020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine LC-ESI-QTOF 40V, positive-QTOFsplash10-001i-9300000000-11f5761be16d1b061df52020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 30V, Negative-QTOFsplash10-0006-9600000000-7585746143c62ab3f8322021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 40V, Negative-QTOFsplash10-0006-9100000000-010da2c57a936868eecc2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 40V, Positive-QTOFsplash10-0kai-9200000000-12f986238bdf05dc39b92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 30V, Positive-QTOFsplash10-001i-9400000000-b6dbdfa2d4643fc13e702021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 10V, Positive-QTOFsplash10-0a4i-0190000000-129f123affa0ecbf7a592021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 20V, Positive-QTOFsplash10-052f-0910000000-302fbdef606070bd5a672021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 0V, Positive-QTOFsplash10-0bta-0890000000-2b3810ae2bbe68268b172021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 40V, Positive-QTOFsplash10-001i-9300000000-7e64dc8404ac654113582021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 0V, Positive-QTOFsplash10-052b-0290000000-7cf7d5be6f7a84299cab2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 10V, Positive-QTOFsplash10-0a4i-0950000000-de2a45f204636756b9c42021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 30V, Positive-QTOFsplash10-00l6-9000000000-b4060d47530bdf70d6cc2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 10V, Positive-QTOFsplash10-0a4i-3920000000-15bb158a77906d0f87b52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 20V, Negative-QTOFsplash10-0udi-2900000000-600643d24abd3ba9b5f12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 10V, Negative-QTOFsplash10-0udi-0920000000-a73049fd7001db7f72d52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pseudouridine 20V, Negative-QTOFsplash10-0udi-0900000000-46e1b064445ad43a60fd2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pseudouridine 10V, Positive-QTOFsplash10-0002-0490000000-226d044c24dd80a7c2ca2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pseudouridine 20V, Positive-QTOFsplash10-0h0s-2980000000-add34ee37b95c102114d2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pseudouridine 40V, Positive-QTOFsplash10-06rm-5900000000-8d66d80928e84e9c93fd2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pseudouridine 10V, Negative-QTOFsplash10-0006-9360000000-3bd8fcdd66c5d245778e2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pseudouridine 20V, Negative-QTOFsplash10-0006-9210000000-f551740a13c90ff1d3242015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pseudouridine 40V, Negative-QTOFsplash10-0006-9000000000-bf4e4234a47d8aa038282015-09-15Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Amniotic Fluid
  • Blood
  • Feces
  • Urine
Tissue Locations
  • Placenta
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Amniotic FluidDetected and Quantified1.29 +/- 1.07 uMAdult (>18 years old)FemaleNormal details
BloodDetected and Quantified2.0492 +/- 23.770 uMChildren (3 months - 6 years old)Not Specified
Normal
details
BloodDetected and Quantified3.18 +/- 0.99 uMAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified63.47 +/- 32.76 umol/mmol creatinineInfant (0-1 year old)BothNormal details
UrineDetected and Quantified29.8 (21.8-47.3) umol/mmol creatinineAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified12.5 (6.5-20.4) umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
details
UrineDetected and Quantified26.02 +/- 4.62 umol/mmol creatinineAdult (>18 years old)FemaleNormal details
UrineDetected and Quantified25.0 +/- 5.0 umol/mmol creatinineAdult (>18 years old)MaleNormal details
UrineDetected and Quantified25.5 +/- 4.8 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified13.467 (8.307-18.627) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified28.9 (13.3-41.3) umol/mmol creatinineAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified53.689 +/- 87.705 uMChildren (3 months - 6 years old)Not Specified
Uremia
details
BloodDetected and Quantified16.70 +/- 3.72 uMAdult (>18 years old)BothCanavan disease details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleEpithelial ovarian cancer details
Associated Disorders and Diseases
Disease References
Canavan disease
  1. Tavazzi B, Lazzarino G, Leone P, Amorini AM, Bellia F, Janson CG, Di Pietro V, Ceccarelli L, Donzelli S, Francis JS, Giardina B: Simultaneous high performance liquid chromatographic separation of purines, pyrimidines, N-acetylated amino acids, and dicarboxylic acids for the chemical diagnosis of inborn errors of metabolism. Clin Biochem. 2005 Nov;38(11):997-1008. Epub 2005 Sep 1. [PubMed:16139832 ]
Uremia
  1. Vanholder R, De Smet R, Glorieux G, Argiles A, Baurmeister U, Brunet P, Clark W, Cohen G, De Deyn PP, Deppisch R, Descamps-Latscha B, Henle T, Jorres A, Lemke HD, Massy ZA, Passlick-Deetjen J, Rodriguez M, Stegmayr B, Stenvinkel P, Tetta C, Wanner C, Zidek W: Review on uremic toxins: classification, concentration, and interindividual variability. Kidney Int. 2003 May;63(5):1934-43. doi: 10.1046/j.1523-1755.2003.00924.x. [PubMed:12675874 ]
Colorectal cancer
  1. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  2. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
  3. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB031139
KNApSAcK IDC00001508
Chemspider ID14319
KEGG Compound IDC02067
BioCyc IDCPD-497
BiGG IDNot Available
Wikipedia LinkPseudouridine
METLIN ID5734
PubChem Compound15047
PDB IDNot Available
ChEBI ID17802
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000249
Good Scents IDNot Available
References
Synthesis Referenceanessian, Stephen; Machaalani, Roger. A highly stereo-controlled and efficient synthesis of a- and b-pseudouridines. Tetrahedron Letters (2003), 44(45), 8321-8323.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Lee SH, Jung BH, Kim SY, Chung BC: A rapid and sensitive method for quantitation of nucleosides in human urine using liquid chromatography/mass spectrometry with direct urine injection. Rapid Commun Mass Spectrom. 2004;18(9):973-7. [PubMed:15116424 ]
  2. Shoemaker JD, Elliott WH: Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease. J Chromatogr. 1991 Jan 2;562(1-2):125-38. [PubMed:2026685 ]
  3. Uziel M, Smith LH, Taylor SA: Modified nucleosides in urine: selective removal and analysis. Clin Chem. 1976 Sep;22(9):1451-5. [PubMed:954194 ]
  4. Bernert JT Jr, Bell CJ, Guntupalli J, Hannon WH: Pseudouridine is unsuitable as an endogenous renal clearance marker. Clin Chem. 1988 Jun;34(6):1011-7. [PubMed:3378317 ]
  5. Woodcock TM, Chou TC, Tan CT, Sternberg SS, Philips FS, Young CW, Burchenal JH: Biochemical, pharmacological, and phase I clinical evaluation of pseudoisocytidine. Cancer Res. 1980 Nov;40(11):4243-9. [PubMed:7471064 ]
  6. Colonna A, Russo T, Esposito F, Salvatore F, Cimino F: Determination of pseudouridine and other nucleosides in human blood serum by high-performance liquid chromatography. Anal Biochem. 1983 Apr 1;130(1):19-26. [PubMed:6869800 ]
  7. Mak TW, Ho SS, Ho CS, Jones MG, Lai CK, Lam CW: Pleural fluid pseudouridine in malignant and benign pleural effusions. Ann Clin Biochem. 1998 Jan;35 ( Pt 1):94-8. [PubMed:9463745 ]
  8. 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 ]
  9. Hamma T, Ferre-D'Amare AR: Pseudouridine synthases. Chem Biol. 2006 Nov;13(11):1125-35. doi: 10.1016/j.chembiol.2006.09.009. [PubMed:17113994 ]

Only showing the first 10 proteins. There are 14 proteins in total.

Enzymes

General function:
Involved in RNA binding
Specific function:
Converts specific uridines to PSI in a number of tRNA substrates. Acts on positions 27/28 in the anticodon stem and also positions 34 and 36 in the anticodon of an intron containing tRNA. Involved in regulation of nuclear receptor activity possibly through pseudouridylation of SRA1 RNA
Gene Name:
PUS1
Uniprot ID:
Q9Y606
Molecular weight:
47469.7
General function:
Involved in RNA processing
Specific function:
Required for ribosome biogenesis and telomere maintenance. Probable catalytic subunit of H/ACA small nucleolar ribonucleoprotein (H/ACA snoRNP) complex, which catalyzes pseudouridylation of rRNA. This involves the isomerization of uridine such that the ribose is subsequently attached to C5, instead of the normal N1. Each rRNA can contain up to 100 pseudouridine ('psi') residues, which may serve to stabilize the conformation of rRNAs. Also required for correct processing or intranuclear trafficking of TERC, the RNA component of the telomerase reverse transcriptase (TERT) holoenzyme
Gene Name:
DKC1
Uniprot ID:
O60832
Molecular weight:
57673.7
General function:
Involved in RNA binding
Specific function:
Pseudouridylate synthases catalyze pseudouridination of structural RNAs, including transfer, ribosomal, and splicing RNAs. PUS10 catalyzes the formation of the universal psi55 in the GC loop of transfer RNAs (Probable). Modulator of TRAIL-induced cell death via activation of procaspase 8 and BID cleavage. Required for the progression of the apoptotic signal through intrinsic mitochondrial cell death
Gene Name:
PUS10
Uniprot ID:
Q3MIT2
Molecular weight:
60243.7
General function:
Involved in RNA binding
Specific function:
Formation of pseudouridine at position 39 in the anticodon stem and loop of transfer RNAs
Gene Name:
PUS3
Uniprot ID:
Q9BZE2
Molecular weight:
55647.0
General function:
Involved in RNA binding
Specific function:
tRNA uridine = tRNA pseudouridine
Gene Name:
PUS7
Uniprot ID:
Q96PZ0
Molecular weight:
75034.9
General function:
Involved in RNA binding
Specific function:
tRNA uridine = tRNA pseudouridine
Gene Name:
PUS7L
Uniprot ID:
Q9H0K6
Molecular weight:
80699.9
General function:
Involved in RNA binding
Specific function:
Not Available
Gene Name:
RPUSD1
Uniprot ID:
Q9UJJ7
Molecular weight:
34755.2
General function:
Involved in RNA binding
Specific function:
Not Available
Gene Name:
RPUSD2
Uniprot ID:
Q8IZ73
Molecular weight:
61311.0
General function:
Involved in RNA binding
Specific function:
Not Available
Gene Name:
RPUSD3
Uniprot ID:
Q6P087
Molecular weight:
38460.4
General function:
Involved in RNA binding
Specific function:
Not Available
Gene Name:
RPUSD4
Uniprot ID:
Q96CM3
Molecular weight:
42204.9

Only showing the first 10 proteins. There are 14 proteins in total.