CHEBI:20597 - 5-methoxycarbonylmethyl-2-thiouridine

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ChEBI Name 5-methoxycarbonylmethyl-2-thiouridine ChEBI ID CHEBI:20597 Definition A thiouridine that is 2-thiouridine bearing an additional methoxycarbonylmethyl substituent at position 5 on the thiouracil ring. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H16N2O7S Net Charge 0 Average Mass 332.33000 Monoisotopic Mass 332.06782 InChI InChI=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 InChIKey HLZXTFWTDIBXDF-PNHWDRBUSA-N SMILES COC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O ChEBI Ontology Outgoing 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 mcm5s2u ChEBI Registry Number Type Source 845703 Reaxys Registry Number Reaxys Citation Type Source 18755837 PubMed citation Europe PMC Last Modified 03 March 2015