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Thymidine 3',5'-cyclic monophosphate (PC000441)

Record Information
Version1.0
Creation date2015-10-09 22:30:45 UTC
Update date2017-01-19 02:36:24 UTC
FoodComEx IDPC000441
FoodDB RecordFDB022695
Chemical Information
NameThymidine 3',5'-cyclic monophosphate
DescriptionThymidine 3',5'-cyclic monophosphate is an intermediate in the Pyrimidine metabolism. Is the product or substrate of the enzymes Thymidylate synthase (EC 2.1.1.45), Thymidylate synthase (FAD) (EC 2.1.1.148), Thymidine kinase (EC 2.7.1.21), AMP-thymidine kinase (EC 2.7.1.114), ADP-thymidine kinase (EC 2.7.1.118), dTMP kinase (EC 2.7.4.9), T2-induced deoxynucleotide kinase (EC 2.7.4.12), 5'-nucleotidase (EC 3.1.3.5), Thymidylate 5'-phosphatase (EC 3.1.3.35), and ATP-diphosphatase (EC 3.6.1.5). (KEGG) [HMDB]
CAS Number6453-60-7
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
3',5'-Cyclic thymidine monoateHMDB
3',5'-Cyclic thymidine monophosphatehmdb
3',5'-Cyclic TMPhmdb
4H-Furo[3,2-D]-1,3,2-dioxaorin thymidine deriv.HMDB
4H-Furo[3,2-d]-1,3,2-dioxaphosphorin thymidine deriv.hmdb
cTMPhmdb
Cyclic 3',5'-dTMPhmdb
Cyclic 3',5'-thymidylatehmdb
Cyclic 3',5'-thymidylic acidhmdb
Cyclic TMPhmdb
Thymidine 3,5-cyclic monoate sodium saltHMDB
Thymidine 3,5-cyclic monophosphate sodium salthmdb
Thymidine 3',5'-cyclic monoateHMDB
Thymidine 3',5'-cyclic monophosphatehmdb
Thymidine 3',5'-cyclic monophosphic acidhmdb
Thymidine ate (cyclic)HMDB
Thymidine cyclic 3',5'-ateHMDB
Thymidine cyclic 3',5'-phosphatehmdb
Thymidine cycloateHMDB
Thymidine cyclophosphatehmdb
Thymidine phosphate (cyclic)hmdb
Chemical FormulaC10H13N2O7P
IUPAC name1-[(6R)-2-hydroxy-2-oxo-hexahydro-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
InChI IdentifierInChI=1S/C10H13N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,11,13,14)/t6?,7?,8-/m1/s1
InChI KeyQSJFDOVQWZVUQG-KAVNDROISA-N
Isomeric SMILESCC1=CN([C@H]2CC3OP(O)(=O)OCC3O2)C(=O)NC1=O
Average Molecular Weight304.1932
Monoisotopic Molecular Weight304.046037292
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrimidines and pyrimidine derivatives
Direct ParentPyrimidones
Alternative Parents
Substituents
  • Pyrimidone
  • Hydropyrimidine
  • Organic phosphoric acid derivative
  • Tetrahydrofuran
  • Heteroaromatic compound
  • Vinylogous amide
  • Lactam
  • Urea
  • Oxacycle
  • Azacycle
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
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