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CHEBI:116736 - 2'-deoxycytidine dimer

ChEBI IDCHEBI:116736
ChEBI Name2'-deoxycytidine dimer
Stars
DefinitionA nucleoside analogue obtained by formal cyclodimerisation of 2'-deoxycytidine.
Last Modified13 April 2016
DownloadsMolfile
FormulaC18H26N6O8
Net Charge0
Average Mass454.440
Monoisotopic Mass454.18121
SMILESNC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C2C1C1C(N)=NC(=O)N([C@H]3C[C@H](O)[C@@H](CO)O3)C12
InChIInChI=1S/C18H26N6O8/c19-15-11-12-14(13(11)23(17(29)21-15)9-1-5(27)7(3-25)31-9)24(18(30)22-16(12)20)10-2-6(28)8(4-26)32-10/h5-14,25-28H,1-4H2,(H2,19,21,29)(H2,20,22,30)/t5-,6-,7+,8+,9+,10+,11?,12?,13?,14?/m0/s1
InChIKeySCOCRPYCYQGLCE-FKZCKFKWSA-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 dimer (CHEBI:116736) has role Mycoplasma genitalium metabolite (CHEBI:131604)
2'-deoxycytidine dimer (CHEBI:116736) is a cyclobutadipyrimidine (CHEBI:38923)
2'-deoxycytidine dimer (CHEBI:116736) is a nucleoside analogue (CHEBI:60783)
IUPAC Name 
4,5-diamino-1,8-bis(2-deoxy-β-D-erythro-pentofuranosyl)-1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,7-dione
Synonym  Source
cyclobutane_dCdCChEBI
Citations