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CHEBI:72322 - 11C-choline

Default Structure
ChEBI IDCHEBI:72322
ChEBI Name11C-choline
Stars
ASCII Name(11)C-choline
DefinitionA choline in which one of the methyl carbons is replaced by an 11C isotope. An intravenous radioactive diagnostic agent used (in the form of its chloride salt) as a tracer during positron emission tomography scans to help detect sites of recurrent prostate cancer.
Last Modified30 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC4[11C]H14NO
Net Charge+1
Average Mass103.173
Monoisotopic Mass103.11842
SMILESC[N+](C)([11CH3])CCO
InChIInChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1/i1-1
InChIKeyOEYIOHPDSNJKLS-BJUDXGSMSA-N
Roles Classification
Applications:
radioactive tracer  A tracer containing a radioactive label.
ChEBI Ontology
Outgoing Relation(s)
11C-choline (CHEBI:72322) has role radioactive imaging agent (CHEBI:37336)
11C-choline (CHEBI:72322) has role radioactive tracer (CHEBI:35207)
11C-choline (CHEBI:72322) is a 11C-modified compound (CHEBI:139544)
11C-choline (CHEBI:72322) is a cholines (CHEBI:23217)
Incoming Relation(s)
11C-choline chloride (CHEBI:72321) has part 11C-choline (CHEBI:72322)
Synonyms  Source
(11)C-CholineChemIDplus
Choline C-11ChemIDplus
Choline C11ChemIDplus
[N-methyl-11C]cholineChEBI
Manual XrefsDatabases
4635DrugCentral
US2005232861Patent
WO2012040151Patent
Registry NumbersSources
Reaxys:7913839Reaxys
CAS:94793-58-5ChemIDplus