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CHEBI:16436 - CDP-choline

Default Structure
ChEBI IDCHEBI:16436
ChEBI NameCDP-choline
Stars
DefinitionA member of the class of phosphocholines that is the choline ester of CDP. It is an intermediate obtained in the biosynthetic pathway of structural phospholipids in cell membranes.
Secondary ChEBI IDsCHEBI:3268, CHEBI:13268, CHEBI:20867, CHEBI:41440
Last Modified22 October 2024
DownloadsMolfile
FormulaC14H26N4O11P2
Net Charge0
Average Mass488.327
Monoisotopic Mass488.10733
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)/t9-,11-,12-,13-/m1/s1
InChIKeyRZZPDXZPRHQOCG-OJAKKHQRSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Applications:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
psychotropic drug  A loosely defined grouping of drugs that have effects on psychological function.
ChEBI Ontology
Outgoing Relation(s)
CDP-choline (CHEBI:16436) has functional parent CDP (CHEBI:17239)
CDP-choline (CHEBI:16436) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
CDP-choline (CHEBI:16436) has role human metabolite (CHEBI:77746)
CDP-choline (CHEBI:16436) has role mouse metabolite (CHEBI:75771)
CDP-choline (CHEBI:16436) has role neuroprotective agent (CHEBI:63726)
CDP-choline (CHEBI:16436) has role psychotropic drug (CHEBI:35471)
CDP-choline (CHEBI:16436) is a nucleotide-(amino alcohol)s (CHEBI:25604)
CDP-choline (CHEBI:16436) is a phosphocholines (CHEBI:36700)
CDP-choline (CHEBI:16436) is conjugate base of CDP-choline(1+) (CHEBI:49086)
Incoming Relation(s)
CDP-choline(1+) (CHEBI:49086) is conjugate acid of CDP-choline (CHEBI:16436)
IUPAC Name 
5'-O-[hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]cytidine
INNs  Source
citicolinaChemIDplus
citicolinumChemIDplus
Synonyms  Source
[2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUMPDBeChem
CDP-colinaChemIDplus
CiticolineKEGG COMPOUND
citidin difosfato de colinaChemIDplus
cyticholineChEBI
CytidindiphosphocholinChemIDplus
Manual XrefsDatabases
664DrugCentral
C00007231KNApSAcK
C00307KEGG COMPOUND
CDCPDBeChem
CiticolineWikipedia
D00057KEGG DRUG
DB04290DrugBank
HMDB0001413HMDB
Registry NumbersSources
Reaxys:4170138Reaxys
CAS:987-78-0ChemIDplus
CAS:987-78-0KEGG COMPOUND
Citations