CHEBI:18132 - phosphocholine

ChEBI IDCHEBI:18132
ChEBI Namephosphocholine
Stars
DefinitionThe phosphate of choline; and the parent compound of the phosphocholine family.
Secondary ChEBI IDsCHEBI:3667, CHEBI:12720, CHEBI:13986, CHEBI:23214, CHEBI:44707
Last Modified4 March 2019
DownloadsMolfile
FormulaC5H15NO4P
Net Charge+1
Average Mass184.152
Monoisotopic Mass184.07332
SMILESC[N+](C)(C)CCOP(=O)(O)O
InChIInChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
InChIKeyYHHSONZFOIEMCP-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (11908950)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
phosphocholine (CHEBI:18132) has role allergen (CHEBI:50904)
phosphocholine (CHEBI:18132) has role epitope (CHEBI:53000)
phosphocholine (CHEBI:18132) has role hapten (CHEBI:59174)
phosphocholine (CHEBI:18132) has role human metabolite (CHEBI:77746)
phosphocholine (CHEBI:18132) has role mouse metabolite (CHEBI:75771)
phosphocholine (CHEBI:18132) is a phosphocholines (CHEBI:36700)
phosphocholine (CHEBI:18132) is conjugate acid of choline phosphate(1−) (CHEBI:295975)
Incoming Relation(s)
phosphorylcholine chloride (CHEBI:61040) has part phosphocholine (CHEBI:18132)
choline phosphate(1−) (CHEBI:295975) is conjugate base of phosphocholine (CHEBI:18132)
phosphocholine group (CHEBI:55395) is substituent group from phosphocholine (CHEBI:18132)
IUPAC Name 
N,N,N-trimethyl-2-(phosphonooxy)ethanaminium
Synonyms  Source
Choline phosphateKEGG COMPOUND
PhosphorylcholineKEGG COMPOUND
PhosphocholineKEGG COMPOUND
O-PhosphocholineKEGG COMPOUND
PHOSPHOCHOLINEPDBeChem
ChoPChEBI
Manual XrefsDatabases
C00588KEGG COMPOUND
C00588KEGG COMPOUND
PCPDBeChem
DB03945DrugBank
HMDB0001565HMDB
C00007299KNApSAcK
Registry NumbersSources
Gmelin:2594827Gmelin
Reaxys:1784889Reaxys
CAS:107-73-3KEGG COMPOUND
CAS:107-73-3ChemIDplus
Citations