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CHEBI:131821 - thymidine 5'-monophosphate dimer

ChEBI IDCHEBI:131821
ChEBI Namethymidine 5'-monophosphate dimer
Stars
DefinitionA cyclobutadipyrimidine bis(deoxyribonucleotide) obtained by formal cyclodimerisation of thymidine 5'-monophosphate.
Last Modified21 April 2016
SubmitterSteve
DownloadsMolfile
FormulaC20H30N4O16P2
Net Charge0
Average Mass644.420
Monoisotopic Mass644.11320
SMILESCC12C(=O)NC(=O)N([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)C1C1N([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)C(=O)NC(=O)C12C
InChIInChI=1S/C20H30N4O16P2/c1-19-13(23(17(29)21-15(19)27)11-3-7(25)9(39-11)5-37-41(31,32)33)14-20(19,2)16(28)22-18(30)24(14)12-4-8(26)10(40-12)6-38-42(34,35)36/h7-14,25-26H,3-6H2,1-2H3,(H,21,27,29)(H,22,28,30)(H2,31,32,33)(H2,34,35,36)/t7-,8-,9+,10+,11+,12+,13?,14?,19?,20?/m0/s1
InChIKeyWJOJPAAQGGVHBJ-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 5'-monophosphate dimer (CHEBI:131821) has role Mycoplasma genitalium metabolite (CHEBI:131604)
thymidine 5'-monophosphate dimer (CHEBI:131821) is a cyclobutadipyrimidine bis(deoxyribonucleotide) (CHEBI:18326)
IUPAC Name 
1,8-bis(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-4a,4b-dimethylhexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,4,5,7(3H,6H)-tetrone
Synonyms  Source
thymidine 5'-monophosphate dimerChEBI
cyclobutane_dTMPdTMPChEBI
dTMP dimerChEBI
Citations