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CHEBI:90492 - N-nonadecanoylsphinganine-1-phosphocholine

ChEBI IDCHEBI:90492
ChEBI NameN-nonadecanoylsphinganine-1-phosphocholine
Stars
ASCII NameN-nonadecanoylsphinganine-1-phosphocholine
DefinitionAn N-acylsphinganine-1-phosphocholine in which the ceramide N-acyl group is specified as nonadecanoyl.
Last Modified1 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC42H87N2O6P
Net Charge0
Average Mass747.140
Monoisotopic Mass746.63018
SMILESCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C42H87N2O6P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-36-42(46)43-40(39-50-51(47,48)49-38-37-44(3,4)5)41(45)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h40-41,45H,6-39H2,1-5H3,(H-,43,46,47,48)/t40-,41+/m0/s1
InChIKeyGWOVFIGYPKRCCZ-WVILEFPPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
ChEBI Ontology
Outgoing Relation(s)
N-nonadecanoylsphinganine-1-phosphocholine (CHEBI:90492) has functional parent nonadecanoic acid (CHEBI:39246)
N-nonadecanoylsphinganine-1-phosphocholine (CHEBI:90492) is a N-acylsphinganine-1-phosphocholine (CHEBI:67090)
N-nonadecanoylsphinganine-1-phosphocholine (CHEBI:90492) is a sphingomyelin 37:0 (CHEBI:90495)
IUPAC Name 
(2S,3R)-3-hydroxy-2-(nonadecanoylamino)octadecyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
SM(d18:0/19:0)ChEBI
SM d18:0/19:0ChEBI
sphingomyelin (d18:0/19:0)ChEBI
sphingomyelin d18:0/19:0ChEBI
N-nonadecanoyldihydrosphingosine-1-phosphocholineChEBI