CHEBI:49086 - CDP-choline(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name CDP-choline(1+)
ChEBI ID CHEBI:49086
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H27N4O11P2
Net Charge +1
Average Mass 489.33206
Monoisotopic Mass 489.115
InChI InChI=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
InChIKey RZZPDXZPRHQOCG-OJAKKHQRSA-O
SMILES C[N+](C)(C)CCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing CDP-choline(1+) (CHEBI:49086) is a nucleotide-(amino alcohol)s (CHEBI:25604)
CDP-choline(1+) (CHEBI:49086) is conjugate acid of CDP-choline (CHEBI:16436)
CDP-choline(1+) (CHEBI:49086) is conjugate acid of CDP-choline(1−) (CHEBI:58779)
Incoming CDP-choline (CHEBI:16436) is conjugate base of CDP-choline(1+) (CHEBI:49086)
CDP-choline(1−) (CHEBI:58779) is conjugate base of CDP-choline(1+) (CHEBI:49086)
IUPAC Name
5'-O-[hydroxy({hydroxy[2-(trimethylammonio)ethoxy]phosphoryl}oxy)phosphoryl]cytidine
Synonym Source
cytidine 5'-(trihydrogen diphosphate), mono(2-(trimethylammonio)ethyl) ester ChemIDplus
Registry Numbers Types Sources
1256-10-6 CAS Registry Number ChemIDplus
4169611 Beilstein Registry Number Beilstein
Last Modified
30 July 2009