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CHEBI:84485 - N-nonadecanoylsphingosine-1-phosphocholine

ChEBI IDCHEBI:84485
ChEBI NameN-nonadecanoylsphingosine-1-phosphocholine
Stars
ASCII NameN-nonadecanoylsphingosine-1-phosphocholine
DefinitionA sphingomyelin d18:1 in whihc the acyl group specified is nonadecanoyl.
Last Modified24 February 2015
Submitternamrata
DownloadsMolfile
FormulaC42H85N2O6P
Net Charge0
Average Mass745.124
Monoisotopic Mass744.61453
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C42H85N2O6P/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/h33,35,40-41,45H,6-32,34,36-39H2,1-5H3,(H-,43,46,47,48)/b35-33+/t40-,41+/m0/s1
InChIKeyHAFQHLHNPJDAGB-MAJDXUCPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-nonadecanoylsphingosine-1-phosphocholine (CHEBI:84485) has functional parent nonadecanoic acid (CHEBI:39246)
N-nonadecanoylsphingosine-1-phosphocholine (CHEBI:84485) has role mouse metabolite (CHEBI:75771)
N-nonadecanoylsphingosine-1-phosphocholine (CHEBI:84485) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(nonadecanoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
N-(nonadecanoyl)-sphing-4-enine-1-phosphocholineLIPID MAPS
SM(d18:1/19:0)LIPID MAPS
Manual XrefsDatabases
LMSP03010055LIPID MAPS