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CHEBI:65117 - CDP-N,N-dimethylethanolamine(1−)

ChEBI IDCHEBI:65117
ChEBI NameCDP-N,N-dimethylethanolamine(1−)
Stars
ASCII NameCDP-N,N-dimethylethanolamine(1-)
DefinitionAn organophosphate oxoanion that is the conjugate base of CDP-N,N-dimethylethanolamine, obtained by deprotonation of the diphosphate OH groups and protonation of the tertiary amino group; major species at pH 7.3.
Last Modified4 July 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC13H23N4O11P2
Net Charge-1
Average Mass473.292
Monoisotopic Mass473.08440
SMILESC[NH+](C)CCOP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H24N4O11P2/c1-16(2)5-6-25-29(21,22)28-30(23,24)26-7-8-10(18)11(19)12(27-8)17-4-3-9(14)15-13(17)20/h3-4,8,10-12,18-19H,5-7H2,1-2H3,(H,21,22)(H,23,24)(H2,14,15,20)/p-1/t8-,10-,11-,12-/m1/s1
InChIKeyFOYCPAILIPEVBT-HJQYOEGKSA-M
ChEBI Ontology
Outgoing Relation(s)
CDP-N,N-dimethylethanolamine(1−) (CHEBI:65117) is a organophosphate oxoanion (CHEBI:58945)
CDP-N,N-dimethylethanolamine(1−) (CHEBI:65117) is conjugate base of CDP-N,N-dimethylethanolamine (CHEBI:64676)
Incoming Relation(s)
CDP-N,N-dimethylethanolamine (CHEBI:64676) is conjugate acid of CDP-N,N-dimethylethanolamine(1−) (CHEBI:65117)
IUPAC Name 
5'-O-[({[2-(dimethylammonio)ethoxy]phosphinato}oxy)phosphinato]cytidine
Synonym  Source
CDP-PDMESUBMITTER
UniProt Name  Source
CDP-N,N-dimethylethanolamineUniProt
Citations