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Thymidine 5'-triphosphate (PC000253)

Record Information
Version1.0
Creation date2015-10-09 22:29:28 UTC
Update date2017-01-19 02:36:18 UTC
FoodComEx IDPC000253
FoodDB RecordFDB022565
Chemical Information
NameThymidine 5'-triphosphate
DescriptionThymidine 5'-triphosphate, also known as TTP or DTHD5'ppp, belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside triphosphates. These are pyrimidine nucleotides with a triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. Thymidine 5'-triphosphate or Thymidine 5'-triphosphate is one of the four nucleoside triphosphates that make up DNA. Thymidine 5'-triphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Thymidine 5'-triphosphate exists in all living species, ranging from bacteria to humans. Outside of the human body, Thymidine 5'-triphosphate has been detected, but not quantified in, several different foods, such as elliott's blueberries, mamey sapotes, sesames, alliums, and sweet oranges. This could make thymidine 5'-triphosphate a potential biomarker for the consumption of these foods.
CAS Number365-08-2
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
2'-Deoxythymidine 5'-triateHMDB
2'-Deoxythymidine 5'-triphosphatehmdb
2'-Deoxythymidine triateChEBI
2'-Deoxythymidine triic acidGenerator
2'-Deoxythymidine triphosphatehmdb
5-Methyl-dUTPhmdb
5'-TTPhmdb
Deoxy-TTPhmdb
Deoxythymidine 5'-triateChEBI
Deoxythymidine 5'-triic acidGenerator
Deoxythymidine 5'-triphosphatehmdb
Deoxythymidine triateChEBI
Deoxythymidine triic acidGenerator
Deoxythymidine triphosphatehmdb
DThd5'pppChEBI
dTTPhmdb
PppdTChEBI
Thymidine 5'-triateChEBI
Thymidine 5'-triic acidGenerator
Thymidine 5'-triphosphatehmdb
Thymidine 5'-triphosphic acidhmdb
Thymidine mono(tetrahydrogen triate)HMDB
Thymidine mono(tetrahydrogen triphosphate)hmdb
Thymidine triateHMDB
Thymidine triphosphatehmdb
THYMIDINE-5'-triATEChEBI
THYMIDINE-5'-triic acidGenerator
TTPChEBI
Chemical FormulaC10H17N2O14P3
IUPAC name{[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid
InChI IdentifierInChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChI KeyNHVNXKFIZYSCEB-XLPZGREQSA-N
Isomeric SMILESCC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O
Average Molecular Weight482.1683
Monoisotopic Molecular Weight481.989262798
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside triphosphates. These are pyrimidine nucleotides with a triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPyrimidine nucleotides
Sub ClassPyrimidine deoxyribonucleotides
Direct ParentPyrimidine 2'-deoxyribonucleoside triphosphates
Alternative Parents
Substituents
  • Pyrimidine 2'-deoxyribonucleoside triphosphate
  • Pyrimidone
  • Monoalkyl phosphate
  • Hydropyrimidine
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Pyrimidine
  • Alkyl phosphate
  • Heteroaromatic compound
  • Vinylogous amide
  • Tetrahydrofuran
  • Lactam
  • Secondary alcohol
  • Urea
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Alcohol
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 10 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Not Available