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CHEBI:184852 - C17 sphingosine-1-phosphocholine

ChEBI IDCHEBI:184852
ChEBI NameC17 sphingosine-1-phosphocholine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H47N2O5P
Net Charge0
Average Mass450.601
Monoisotopic Mass450.32226
SMILESCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C22H47N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)21(23)20-29-30(26,27)28-19-18-24(2,3)4/h16-17,21-22,25H,5-15,18-20,23H2,1-4H3/b17-16+/t21-,22+/m0/s1
InChIKeyAAERQLSYRRXFMA-FYBNUODKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
C17 sphingosine-1-phosphocholine (CHEBI:184852) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(E,2S,3R)-2-amino-3-hydroxyheptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMSP01060003LIPID MAPS
24846871ChemSpider