CHEBI:131821 - thymidine 5'-monophosphate dimer

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ChEBI Name thymidine 5'-monophosphate dimer
ChEBI ID CHEBI:131821
Definition A cyclobutadipyrimidine bis(deoxyribonucleotide) obtained by formal cyclodimerisation of thymidine 5'-monophosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H30N4O16P2
Net Charge 0
Average Mass 644.418
Monoisotopic Mass 644.11320
InChI InChI=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
InChIKey WJOJPAAQGGVHBJ-DXKBKMAZSA-N
SMILES C12N(C(NC(C1(C)C3(C2N(C(NC3=O)=O)[C@@H]4O[C@@H]([C@H](C4)O)COP(=O)(O)O)C)=O)=O)[C@@H]5O[C@@H]([C@H](C5)O)COP(=O)(O)O
Metabolite of Species Details
Mycoplasma genitalium (NCBI:txid2097) See: PubMed
Roles Classification
Biological Role(s): Mycoplasma genitalium metabolite
Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
cyclobutane_dTMPdTMP ChEBI
dTMP dimer ChEBI
thymidine 5'-monophosphate dimer ChEBI
Citation Waiting for Citations Type Source
22817898 PubMed citation Europe PMC
Last Modified
21 April 2016