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CHEBI:64486 - N-myristoylsphingosine-1-phosphocholine

ChEBI IDCHEBI:64486
ChEBI NameN-myristoylsphingosine-1-phosphocholine
Stars
ASCII NameN-myristoylsphingosine-1-phosphocholine
DefinitionA sphingomyelin d18:1 in which the N-acyl group is specified as tetradecanoyl (myristoyl).
Last Modified26 August 2016
Submittermwilliams
DownloadsMolfile
FormulaC37H75N2O6P
Net Charge0
Average Mass674.989
Monoisotopic Mass674.53627
SMILES[H][C@@](O)(/C=C/CCCCCCCCCCCCC)[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C37H75N2O6P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-36(40)35(34-45-46(42,43)44-33-32-39(3,4)5)38-37(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h28,30,35-36,40H,6-27,29,31-34H2,1-5H3,(H-,38,41,42,43)/b30-28+/t35-,36+/m0/s1
InChIKeyKYICBZWZQPCUMO-PSALXKTOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-myristoylsphingosine-1-phosphocholine (CHEBI:64486) has functional parent tetradecanoic acid (CHEBI:28875)
N-myristoylsphingosine-1-phosphocholine (CHEBI:64486) has role mouse metabolite (CHEBI:75771)
N-myristoylsphingosine-1-phosphocholine (CHEBI:64486) is a sphingomyelin 32:1 (CHEBI:64586)
N-myristoylsphingosine-1-phosphocholine (CHEBI:64486) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(tetradecanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
SM(32:1)ChEBI
SM(d18:1/14:0)LIPID MAPS
C14 SphingomyelinHMDB
N-(myristoyl)sphing-4-enine-1-phosphocholineChEBI
N-(tetradecanoyl)sphing-4-enine-1-phosphocholineChEBI
sphingomyelin (d18:1/14:0)ChEBI
Manual XrefsDatabases
LMSP03010028LIPID MAPS
HMDB0012097HMDB
Registry NumbersSources
Reaxys:9980071Reaxys
Citations