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CHEBI:116848 - 2'-deoxycytidine 5'-monophosphate dimer

ChEBI IDCHEBI:116848
ChEBI Name2'-deoxycytidine 5'-monophosphate dimer
Stars
DefinitionA cyclobutadipyrimidine bis(deoxyribonucleotide) obtained by formal cyclodimerisation of 2'-deoxycytidine 5'-monophosphate.
Last Modified13 April 2016
DownloadsMolfile
FormulaC18H28N6O14P2
Net Charge0
Average Mass614.398
Monoisotopic Mass614.11387
SMILESNC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C2C1C1C(N)=NC(=O)N([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)C12
InChIInChI=1S/C18H28N6O14P2/c19-15-11-12-14(13(11)23(17(27)21-15)9-1-5(25)7(37-9)3-35-39(29,30)31)24(18(28)22-16(12)20)10-2-6(26)8(38-10)4-36-40(32,33)34/h5-14,25-26H,1-4H2,(H2,19,21,27)(H2,20,22,28)(H2,29,30,31)(H2,32,33,34)/t5-,6-,7+,8+,9+,10+,11?,12?,13?,14?/m0/s1
InChIKeyYOEWMTAQODYVBU-FKZCKFKWSA-N
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 5'-monophosphate dimer (CHEBI:116848) has role Mycoplasma genitalium metabolite (CHEBI:131604)
2'-deoxycytidine 5'-monophosphate dimer (CHEBI:116848) is a cyclobutadipyrimidine bis(deoxyribonucleotide) (CHEBI:18326)
IUPAC Name 
4,5-diamino-1,8-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,7-dione
Synonyms  Source
dCMP dimerChEBI
2'-deoxycytidine 5'-phosphate dimerChEBI