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CHEBI:131808 - thymidine dimer

ChEBI IDCHEBI:131808
ChEBI Namethymidine dimer
Stars
DefinitionA nucleoside analogue obtained by formal cyclodimerisation of thymidine.
Last Modified21 April 2016
SubmitterSteve
DownloadsMolfile
FormulaC20H28N4O10
Net Charge0
Average Mass484.462
Monoisotopic Mass484.18054
SMILESCC12C(=O)NC(=O)N([C@H]3C[C@H](O)[C@@H](CO)O3)C1C1N([C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)NC(=O)C12C
InChIInChI=1S/C20H28N4O10/c1-19-13(23(17(31)21-15(19)29)11-3-7(27)9(5-25)33-11)14-20(19,2)16(30)22-18(32)24(14)12-4-8(28)10(6-26)34-12/h7-14,25-28H,3-6H2,1-2H3,(H,21,29,31)(H,22,30,32)/t7-,8-,9+,10+,11+,12+,13?,14?,19?,20?/m0/s1
InChIKeyYAHHPOUXPBUKTL-DXKBKMAZSA-N
Species of MetaboliteComponentSourceComments
Mycoplasma genitalium (ncbitaxon:2097) - PubMed (22817898)
Roles Classification
Biological Role:
Mycoplasma genitalium metabolite  Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
ChEBI Ontology
Outgoing Relation(s)
thymidine dimer (CHEBI:131808) has role Mycoplasma genitalium metabolite (CHEBI:131604)
thymidine dimer (CHEBI:131808) is a cyclobutadipyrimidine (CHEBI:38923)
thymidine dimer (CHEBI:131808) is a nucleoside analogue (CHEBI:60783)
IUPAC Name 
1,8-bis(2-deoxy-β-D-erythro-pentofuranosyl)-4a,4b-dimethylhexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,4,5,7(3H,6H)-tetrone
Synonym  Source
cyclobutane_dTdTChEBI
Registry NumbersSources
Reaxys:22400139Reaxys
Citations