Basic information
- CAS
1256-10-6- Standard SMILES
C[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- InChIKey
RZZPDXZPRHQOCG-OJAKKHQRSA-O- Molecular formula
- C14H27N4O11P2+
- Average molar mass
- 489.33 g/mol
- Monoisotopic mass
- 489.11515669
Overview
CDP-choline(1+) is a quaternary ammonium ion. It is a conjugate acid of a CDP-choline and a CDP-choline(1-).
Names & identifiers
- Preferred name
- Cytidine 5'-(trihydrogen diphosphate), P'-(2-(trimethylammonio)ethyl) ester
- IUPAC
- 2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
Names & synonyms
Cytidine 5'-(trihydrogen diphosphate), P'-(2-(trimethylammonio)ethyl) esterRefChem:10828171256-10-6SomazinaCDP-choline(1+)CitidolineCytidolineDifosfocinCyscholinHaocolinNiticolinRecofnan
Show more names
RecognanSuncholinColiteEnsignCytidine diphosphocholineCytidine diphosphorylcholineCholine cytidine diphosphateCytidine choline diphosphate
Database identifiers
- CAS
1256-10-6、987-78-0- PubChem CID
- 13805
- DTXSID
DTXSID001366227- ChEBI
CHEBI:49086- Nikkaji
- J858C
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 1
- Complexity
- 830
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section197.6 Ų [M+H]+
Chemistry & industry
Pharmacology
Tissue LocationsBrain
Cellular LocationsCytoplasm
Metabolite PathwaysPhospholipid Biosynthesis
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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