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CHEBI:116810 - 2'-deoxycytidine-thymidine dimer

ChEBI IDCHEBI:116810
ChEBI Name2'-deoxycytidine-thymidine dimer
Stars
DefinitionA nucleoside analogue obtained by formal cyclodimerisation of 2'-deoxycytidine and thymidine.
Last Modified13 April 2016
DownloadsMolfile
FormulaC19H27N5O9
Net Charge0
Average Mass469.451
Monoisotopic Mass469.18088
SMILESCC12C(=O)NC(=O)N([C@H]3C[C@H](O)[C@@H](CO)O3)C1C1C2C(N)=NC(=O)N1[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C19H27N5O9/c1-19-12-13(23(17(30)21-15(12)20)10-2-6(27)8(4-25)32-10)14(19)24(18(31)22-16(19)29)11-3-7(28)9(5-26)33-11/h6-14,25-28H,2-5H2,1H3,(H2,20,21,30)(H,22,29,31)/t6-,7-,8+,9+,10+,11+,12?,13?,14?,19?/m0/s1
InChIKeyRLQGXMDNSAWICR-KJHCXILBSA-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)
2'-deoxycytidine-thymidine dimer (CHEBI:116810) has role Mycoplasma genitalium metabolite (CHEBI:131604)
2'-deoxycytidine-thymidine dimer (CHEBI:116810) is a cyclobutadipyrimidine (CHEBI:38923)
2'-deoxycytidine-thymidine dimer (CHEBI:116810) is a nucleoside analogue (CHEBI:60783)
IUPAC Name 
5-amino-1,8-bis(2-deoxy-β-D-erythro-pentofuranosyl)-4a-methyl-1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,4,7(3H)-trione
Synonym  Source
2'-deoxycytidine-thymidineChEBI
Citations