Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:18:57 UTC
Update Date2022-08-12 20:09:37 UTC
Metabolite IDMMDBc0056185
Metabolite Identification
Common NameN(5)-(cytidine 5'-diphosphoramidyl)-L-glutamine
DescriptionN5-(cytidine 5'-diphosphoramidyl)-L-glutamine belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Based on a literature review very few articles have been published on N5-(cytidine 5'-diphosphoramidyl)-L-glutamine.
Structure
SynonymsNot Available
Molecular FormulaC14H21N5O13P2
Average Mass529.293
Monoisotopic Mass529.062206912
IUPAC Name(2S)-2-amino-4-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}-C-hydroxycarbonimidoyl)butanoate
Traditional Name(2S)-2-amino-4-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)-C-hydroxycarbonimidoyl]butanoate
CAS Registry NumberNot Available
SMILES
[H][C@](N)(CCC([O-])=NP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)[C@]1([H])O)C([O-])=O
InChI Identifier
InChI=1S/C14H23N5O13P2/c15-6(13(23)24)1-2-9(20)18-33(26,27)32-34(28,29)30-5-7-10(21)11(22)12(31-7)19-4-3-8(16)17-14(19)25/h3-4,6-7,10-12,21-22H,1-2,5,15H2,(H,23,24)(H,28,29)(H2,16,17,25)(H2,18,20,26,27)/p-2/t6-,7+,10+,11+,12+/m0/s1
InChI KeyLXCLWZMVNJKMKJ-MXMUJRTHSA-L