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CHEBI:45418 - 2'-O-[2-(METHOXY)ETHYL]-2-THIOTHYMIDINE-5'-MONOPHOSPHATE

Default Structure
ChEBI IDCHEBI:45418
ChEBI Name2'-O-[2-(METHOXY)ETHYL]-2-THIOTHYMIDINE-5'-MONOPHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC13H21N2O9PS
Net Charge0
Average Mass412.357
Monoisotopic Mass412.07054
SMILES[H]O[C@@]1([H])[C@@]([H])(OC([H])([H])C([H])([H])OC([H])([H])[H])[C@]([H])(n2c([H])c(C([H])([H])[H])c(=O)n([H])c2=S)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[H]
InChIInChI=1S/C13H21N2O9PS/c1-7-5-15(13(26)14-11(7)17)12-10(22-4-3-21-2)9(16)8(24-12)6-23-25(18,19)20/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,26)(H2,18,19,20)/t8-,9-,10-,12-/m1/s1
InChIKeyBCVUFQXUUOAMEV-DNRKLUKYSA-N
ChEBI Ontology
Outgoing Relation(s)
2'-O-[2-(METHOXY)ETHYL]-2-THIOTHYMIDINE-5'-MONOPHOSPHATE (CHEBI:45418) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-[2-O-(2-methoxyethyl)-5-O-phosphono-beta-D-ribofuranosyl]-5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-onePDBeChem
2'-O-[2-(METHOXY)ETHYL]-2-THIOTHYMIDINE-5'-MONOPHOSPHATEPDBeChem
Manual XrefsDatabases
S2MPDBeChem