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CHEBI:15354 - choline

ChEBI IDCHEBI:15354
ChEBI Namecholine
Stars
DefinitionA choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function.
Secondary ChEBI IDsCHEBI:3665, CHEBI:13985, CHEBI:23212, CHEBI:41524
Last Modified4 March 2019
SubmitterMarcus Ennis
DownloadsMolfile

FormulaC5H14NO
Net Charge+1
Average Mass104.173
Monoisotopic Mass104.10699
SMILESC[N+](C)(C)CCO
InChIInChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKeyOEYIOHPDSNJKLS-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Arabidopsis thaliana (ncbitaxon:3702) - DOI (10.1074/jbc.M302362200)
Daphnia magna (ncbitaxon:35525) - Article (Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyondTine Vandenbrouck, Oliver A.H. Jones, Nathalie Dom, Julian L. Griffin, Wim De CoenEnvironment International 36 (2010) 254-268)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification

ChEBI Ontology
IUPAC Name 
2-hydroxy-N,N,N-trimethylethanaminium
Synonyms  Source
CholineKEGG COMPOUND
BilineurineKEGG COMPOUND
N,N,N-trimethylethanol-ammoniumChEBI
CHOLINE IONPDBeChem
trimethylethanolamineChEBI
N-trimethylethanolamineChEBI
UniProt Name  Source
cholineUniProt
Manual XrefsDatabases
C00114KEGG COMPOUND
C00114KEGG COMPOUND
CHTPDBeChem
DB00122DrugBank
HMDB0000097HMDB
CHOLINEMetaCyc
CholineWikipedia
C00007298KNApSAcK
D07690KEGG DRUG
ECMDB00097ECMDB
YMDB00227YMDB
3097DrugCentral
Registry NumbersSources
Gmelin:324597Gmelin
Reaxys:1736748Reaxys
CAS:62-49-7KEGG COMPOUND
CAS:62-49-7ChemIDplus
Citations