EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169697 - Heptanoylcholine

ChEBI IDCHEBI:169697
ChEBI NameHeptanoylcholine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H26NO2
Net Charge+1
Average Mass216.345
Monoisotopic Mass216.19581
SMILESCCCCCCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C12H26NO2/c1-5-6-7-8-9-12(14)15-11-10-13(2,3)4/h5-11H2,1-4H3/q+1
InChIKeyXZYNWDWRUDTDCH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Heptanoylcholine (CHEBI:169697) is a acylcholine (CHEBI:35287)
IUPAC Name 
2-heptanoyloxyethyl(trimethyl)azanium
Manual XrefsDatabases
17029ChemSpider
HMDB0013239HMDB