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CHEBI:64676 - CDP-N,N-dimethylethanolamine

Default Structure
ChEBI IDCHEBI:64676
ChEBI NameCDP-N,N-dimethylethanolamine
Stars
ASCII NameCDP-N,N-dimethylethanolamine
DefinitionA nucleotide-(amino alcohol) that is the N,N-dimethyl derivative of CDP-ethanolamine.
Last Modified4 July 2012
Submitterpaola
DownloadsMolfile
FormulaC13H24N4O11P2
Net Charge0
Average Mass474.300
Monoisotopic Mass474.09168
SMILESCN(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)/t8-,10-,11-,12-/m1/s1
InChIKeyFOYCPAILIPEVBT-HJQYOEGKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
CDP-N,N-dimethylethanolamine (CHEBI:64676) has functional parent CDP-ethanolamine (CHEBI:16732)
CDP-N,N-dimethylethanolamine (CHEBI:64676) is a nucleotide-(amino alcohol)s (CHEBI:25604)
CDP-N,N-dimethylethanolamine (CHEBI:64676) is a phosphoethanolamine (CHEBI:36711)
CDP-N,N-dimethylethanolamine (CHEBI:64676) is conjugate acid of CDP-N,N-dimethylethanolamine(1−) (CHEBI:65117)
Incoming Relation(s)
CDP-N,N-dimethylethanolamine(1−) (CHEBI:65117) is conjugate base of CDP-N,N-dimethylethanolamine (CHEBI:64676)
IUPAC Name 
5'-O-[({[2-(dimethylamino)ethoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine
Synonym  Source
CDP-N-dimethylethanolamineMetaCyc
Manual XrefsDatabases
CPD4FS-1MetaCyc