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CHEBI:49086 - CDP-choline(1+)

Default Structure
ChEBI IDCHEBI:49086
ChEBI NameCDP-choline(1+)
Stars
Last Modified6 June 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H27N4O11P2
Net Charge+1
Average Mass489.335
Monoisotopic Mass489.11461
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-O
ChEBI Ontology
Outgoing Relation(s)
CDP-choline(1+) (CHEBI:49086) is a quaternary ammonium ion (CHEBI:35267)
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 Relation(s)
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) esterChemIDplus
Registry NumbersSources
Beilstein:4169611Beilstein
CAS:1256-10-6ChemIDplus