Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 18:38:17 UTC
Update Date2022-08-31 06:17:16 UTC
Metabolite IDMMDBc0000901
Metabolite Identification
Common NameKipukasin I
DescriptionKipukasin I 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. Based on a literature review very few articles have been published on Kipukasin I.
Structure
SynonymsNot Available
Molecular FormulaC18H20N2O9
Average Mass408.363
Monoisotopic Mass408.116880232
IUPAC Name(2R,3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl 4-hydroxy-2-methoxy-6-methylbenzoate
Traditional Name(2R,3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl 4-hydroxy-2-methoxy-6-methylbenzoate
CAS Registry NumberNot Available
SMILES
[H][C@]1(CO)O[C@@]([H])(N2C=CC(O)=NC2=O)[C@]([H])(O)[C@]1([H])OC(=O)C1=C(OC)C=C(O)C=C1C
InChI Identifier
InChI=1S/C18H20N2O9/c1-8-5-9(22)6-10(27-2)13(8)17(25)29-15-11(7-21)28-16(14(15)24)20-4-3-12(23)19-18(20)26/h3-6,11,14-16,21-22,24H,7H2,1-2H3,(H,19,23,26)/t11-,14-,15-,16-/m1/s1
InChI KeyLOUBNBRAJPSMEC-RAEVTNRLSA-N