Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:28:44 UTC
Update Date2022-08-31 06:45:22 UTC
Metabolite IDMMDBc0019397
Metabolite Identification
Common NameKipukasin C
DescriptionKioukasin C belongs to the class of organic compounds known as pyrimidine nucleosides. Pyrimidine nucleosides are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety. Kioukasin C is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC20H22N2O10
Average Mass450.4
Monoisotopic Mass450.127444916
IUPAC Name(2R,3R,4R,5R)-4-(acetyloxy)-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl 2-hydroxy-4-methoxy-6-methylbenzoate
Traditional Name(2R,3R,4R,5R)-4-(acetyloxy)-5-(4-hydroxy-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl 2-hydroxy-4-methoxy-6-methylbenzoate
CAS Registry NumberNot Available
SMILES
[H][C@]1(CO)O[C@@]([H])(N2C=CC(O)=NC2=O)[C@]([H])(OC(C)=O)[C@]1([H])OC(=O)C1=C(O)C=C(OC)C=C1C
InChI Identifier
InChI=1S/C20H22N2O10/c1-9-6-11(29-3)7-12(25)15(9)19(27)32-16-13(8-23)31-18(17(16)30-10(2)24)22-5-4-14(26)21-20(22)28/h4-7,13,16-18,23,25H,8H2,1-3H3,(H,21,26,28)/t13-,16-,17-,18-/m1/s1
InChI KeyHAQMHDBEEOMBGX-BNEJOLLZSA-N