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CHEBI:20597 - 5-methoxycarbonylmethyl-2-thiouridine

ChEBI IDCHEBI:20597
ChEBI Name5-methoxycarbonylmethyl-2-thiouridine
Stars
DefinitionA thiouridine that is 2-thiouridine bearing an additional methoxycarbonylmethyl substituent at position 5 on the thiouracil ring.
Last Modified3 March 2015
DownloadsMolfile
FormulaC12H16N2O7S
Net Charge0
Average Mass332.334
Monoisotopic Mass332.06782
SMILESCOC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)nc1=O
InChIInChI=1S/C12H16N2O7S/c1-20-7(16)2-5-3-14(12(22)13-10(5)19)11-9(18)8(17)6(4-15)21-11/h3,6,8-9,11,15,17-18H,2,4H2,1H3,(H,13,19,22)/t6-,8-,9-,11-/m1/s1
InChIKeyHLZXTFWTDIBXDF-PNHWDRBUSA-N
ChEBI Ontology
Outgoing Relation(s)
5-methoxycarbonylmethyl-2-thiouridine (CHEBI:20597) is a methyl ester (CHEBI:25248)
5-methoxycarbonylmethyl-2-thiouridine (CHEBI:20597) is a thiouridine (CHEBI:26978)
IUPAC Name 
5-(2-methoxy-2-oxoethyl)-1-(β-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Synonym  Source
mcm5s2uChEBI
Registry NumbersSources
Reaxys:845703Reaxys
Citations