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Showing Compound Uridine triphosphate (FDB021929)

Record Information
Version1.0
Creation date2011-09-21 00:05:23 UTC
Update date2020-04-21 18:02:03 UTC
Primary IDFDB021929
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameUridine triphosphate
DescriptionUridine 5'-(tetrahydrogen triphosphate). A uracil nucleotide containing three phosphate groups esterified to the sugar moiety. Uridine triphosphate has the role of a source of energy or an activator of substrates in metabolic reactions, like that of adenosine triphosphate, but more specific. When Uridine triphosphate activates a substrate, UDP-substrate is usually formed and inorganic phosphate is released. [HMDB]. Uridine triphosphate is found in many foods, some of which are oyster mushroom, orange mint, italian oregano, and swamp cabbage.
CAS Number63-39-8
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
5'-UTPChEBI
H4UTPChEBI
Uridine 5'-triphosphateChEBI
Uridine 5'-triphosphoric acidChEBI
Uridine triphosphoric acidGenerator
Uridine mono(tetrahydrogen triphosphate)HMDB
UteplexHMDB
UTPHMDB
MG UTPHMDB
Magnesium UTPHMDB
Magnesium uridine triphosphateHMDB
Triphosphate, uridineHMDB
MG-UTPHMDB
Triphosphate, magnesium uridineHMDB
UTP, MagnesiumHMDB
Uridine 5'-triateChEBI
Uridine 5'-triic acidGenerator
Uridine 5'-trioric acidChEBI
Uridine mono(tetrahydrogen triate)HMDB
Uridine triateChEBI
Uridine triic acidGenerator
Uridine triphosphatehmdb
Uridine triphosphic acidhmdb
Predicted Properties
PropertyValueSource
Water Solubility8.37 g/LALOGPS
logP-0.07ALOGPS
logP-3.4ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)0.9ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area258.92 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity85.18 m³·mol⁻¹ChemAxon
Polarizability35.38 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC9H15N2O15P3
IUPAC name({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
InChI IdentifierInChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChI KeyPGAVKCOVUIYSFO-XVFCMESISA-N
Isomeric SMILESO[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
Average Molecular Weight484.1411
Monoisotopic Molecular Weight483.968527356
Classification
Description Belongs to the class of organic compounds known as pyrimidine ribonucleoside triphosphates. These are pyrimidine ribobucleotides with triphosphate group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPyrimidine nucleotides
Sub ClassPyrimidine ribonucleotides
Direct ParentPyrimidine ribonucleoside triphosphates
Alternative Parents
Substituents
  • Pyrimidine ribonucleoside triphosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Hydroxypyrimidine
  • Pyrimidone
  • Monoalkyl phosphate
  • Hydropyrimidine
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Pyrimidine
  • Alkyl phosphate
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Secondary alcohol
  • 1,2-diol
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Organopnictogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSUridine triphosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-056r-6985400000-049f49dc11e3cece73cdSpectrum
Predicted GC-MSUridine triphosphate, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-00fr-3203911000-0f0cfc0a02038f8c4d23Spectrum
Predicted GC-MSUridine triphosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_1_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_1_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_1_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_1_4, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_1_5, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_1_6, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_4, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_5, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_6, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_7, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_8, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_9, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_10, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_11, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_12, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_13, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_14, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_15, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSUridine triphosphate, TMS_2_16, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - 10V, Negativesplash10-001i-0100900000-e35637d37a2d10f9d4442021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 35V, Positivesplash10-0002-9000000000-124fadc6aacda233cbc62021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 35V, Positivesplash10-0002-9000000000-a7dca6b7fb654f2e8e452021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 35V, Positivesplash10-0002-9000000000-4f39640c93c46c531ba12021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 20V, Negativesplash10-0a59-0912500000-4127d254daa1f907106b2021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-1921100000-79ead41c01d157630e3a2021-09-20View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900200000-1e49702931dc8a0616fa2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-3901000000-9e6c30251cef888790702015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-5900000000-7dd9d18bd041b36c39c32015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-01ql-3420900000-bdedb290606a4f13570e2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-06wc-9430100000-e99725c1e87e0bb4d74b2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-056r-9510000000-3cdeab5c42d2197752932015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0001900000-aa7f3b8519a1107e3a772021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9852200000-8c560690006568be20e42021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9401000000-8514bc75910b055190be2021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01q9-0503900000-79f31aa01de440e36c422021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03e9-3944800000-fe9f190dfc34341fb7942021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03fr-0921000000-115a974002fd4559fda92021-09-24View Spectrum
NMRNot Available
ChemSpider ID5903
ChEMBL IDCHEMBL336296
KEGG Compound IDC00075
Pubchem Compound ID6133
Pubchem Substance IDNot Available
ChEBI ID15713
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00285
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID33760
KNApSAcK IDNot Available
HET IDUTP
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDUridine triphosphate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
Enzymes
NameGene NameUniProt ID
CTP synthase 2CTPS2Q9NRF8
Uridine-cytidine kinase-like 1UCKL1Q9NWZ5
GTP:AMP phosphotransferase, mitochondrialAK3Q9UIJ7
DNA-directed RNA polymerase III subunit RPC4POLR3DP05423
DNA-directed RNA polymerase, mitochondrialPOLRMTO00411
DNA-directed RNA polymerase I subunit RPA2POLR1BQ9H9Y6
DNA-directed RNA polymerase III subunit RPC7POLR3GO15318
DNA-directed RNA polymerase III subunit RPC2POLR3BQ9NW08
DNA-directed RNA polymerase I subunit RPA49POLR1EQ9GZS1
DNA-directed RNA polymerase III subunit RPC8POLR3HQ9Y535
DNA-directed RNA polymerase III subunit RPC1POLR3AO14802
DNA-directed RNA polymerase I subunit RPA1POLR1AO95602
Zinc ribbon domain containing 1ZNRD1Q2L6J2
DNA-directed RNA polymerases I and III subunit RPAC2POLR1DQ9Y2S0
DNA-directed RNA polymeraseDKFZp686D10173Q7Z3R8
DNA-directed RNA polymerase III subunit RPC7-likePOLR3GLQ9BT43
POLR1C proteinPOLR1CQ96HT3
UTP--glucose-1-phosphate uridylyltransferaseUGP2Q16851
UDP-N-acetylhexosamine pyrophosphorylaseUAP1Q16222
Pathways
NameSMPDB LinkKEGG Link
Amino Sugar MetabolismSMP00045 map00520
DNA Replication ForkSMP00477 Not Available
Lactose SynthesisSMP00444 Not Available
Pyrimidine MetabolismSMP00046 map00240
Transcription/TranslationSMP00019 Not Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference