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CHEBI:132478 - sphinganine-1-phosphocholine

ChEBI IDCHEBI:132478
ChEBI Namesphinganine-1-phosphocholine
Stars
DefinitionA phosphosphingolipid consisting of sphinganine having a phosphocholine group attached to its primary hydroxyl group.
Last Modified13 January 2017
Submittermwilliams
DownloadsMolfile
FormulaC23H51N2O5P
Net Charge0
Average Mass466.644
Monoisotopic Mass466.35356
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C23H51N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h22-23,26H,5-21,24H2,1-4H3/t22-,23+/m0/s1
InChIKeyGSEOJHIBPQRSNH-XZOQPEGZSA-N
Species of MetaboliteComponentSourceComments
Calanus helgolandicus (ncbitaxon:114068)
- MetaboLights (MTBLS91)
- PubMed (26364855)
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
sphinganine-1-phosphocholine (CHEBI:132478) has functional parent sphinganine (CHEBI:16566)
sphinganine-1-phosphocholine (CHEBI:132478) has role marine metabolite (CHEBI:76507)
sphinganine-1-phosphocholine (CHEBI:132478) is a ammonium betaine (CHEBI:35284)
sphinganine-1-phosphocholine (CHEBI:132478) is a phosphocholines (CHEBI:36700)
sphinganine-1-phosphocholine (CHEBI:132478) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
(2S,3R)-2-amino-3-hydroxyoctadecyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
SM(d18:0/0:0)LIPID MAPS
LysoSM(d18:0)ChEBI
dihydrosphingosylphosphorylcholineChEBI
dihydrosphingosine-1-phosphocholineChEBI
Manual XrefsDatabases
LMSP01060002LIPID MAPS
Registry NumbersSources
Reaxys:9819448Reaxys
Citations