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CHEBI:58779 - CDP-choline(1−)

ChEBI IDCHEBI:58779
ChEBI NameCDP-choline(1−)
Stars
ASCII NameCDP-choline(1-)
DefinitionConjugate base of CDP-choline(1+) arising from deprotonation of the diphosphate function.
Last Modified16 June 2014
DownloadsMolfile
FormulaC14H25N4O11P2
Net Charge-1
Average Mass487.319
Monoisotopic Mass487.10005
SMILESC[N+](C)(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/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/p-1/t9-,11-,12-,13-/m1/s1
InChIKeyRZZPDXZPRHQOCG-OJAKKHQRSA-M
ChEBI Ontology
Outgoing Relation(s)
CDP-choline(1−) (CHEBI:58779) is a organophosphate oxoanion (CHEBI:58945)
CDP-choline(1−) (CHEBI:58779) is conjugate base of CDP-choline(1+) (CHEBI:49086)
Incoming Relation(s)
CDP-choline(1+) (CHEBI:49086) is conjugate acid of CDP-choline(1−) (CHEBI:58779)
IUPAC Name 
5'-O-[({[2-(trimethylazaniumyl)ethoxy]phosphinato}oxy)phosphinato]cytidine
UniProt Name  Source
CDP-cholineUniProt
Registry NumbersSources
Beilstein:4170622Beilstein