Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 23:09:51 UTC
Update Date2022-09-01 02:28:52 UTC
Metabolite IDMMDBc0054386
Metabolite Identification
Common NameCDP-alpha-D-paratose
Description
Structure
Synonyms
ValueSource
CDP-3,6-Dideoxy-alpha-D-ribo-hexoseChEBI
CDP-3,6-Dideoxy-D-glucoseChEBI
CDP-alpha-D-ParatoseChEBI
CDPparatoseChEBI
CDP-3,6-Dideoxy-a-D-ribo-hexoseGenerator
CDP-3,6-Dideoxy-α-D-ribo-hexoseGenerator
CDP-a-D-ParatoseGenerator
CDP-Α-D-paratoseGenerator
CDP-3,6-Dideoxy-a-D-glucoseGenerator
CDP-3,6-Dideoxy-α-D-glucoseGenerator
Molecular FormulaC15H25N3O14P2
Average Mass533.32
Monoisotopic Mass533.081176493
IUPAC Name[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,5S,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy})phosphinic acid
Traditional Name{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy[(2R,3R,5S,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxyphosphinic acid
CAS Registry NumberNot Available
SMILES
C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(N)=NC2=O)[C@H](O)C[C@@H]1O
InChI Identifier
InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7+,8-,9-,11-,12-,13-,14-/m1/s1
InChI KeyJHEDABDMLBOYRG-VZRUIPTFSA-N