CHEBI:184852 - C17 sphingosine-1-phosphocholine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name C17 sphingosine-1-phosphocholine
ChEBI ID CHEBI:184852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H47N2O5P
Net Charge 0
Average Mass 450.601
Monoisotopic Mass 450.32226
InChI InChI=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
InChIKey AAERQLSYRRXFMA-FYBNUODKSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](N)[C@H](O)\C=C\CCCCCCCCCCCC)([O-])=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24846871 ChemSpider
LMSP01060003 LIPID MAPS
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