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CHEBI:83358 - N-stearoylsphingosine-1-phosphocholine

ChEBI IDCHEBI:83358
ChEBI NameN-stearoylsphingosine-1-phosphocholine
Stars
ASCII NameN-stearoylsphingosine-1-phosphocholine
DefinitionA sphingomyelin d18:1 in which the ceramide N-acyl group is specified as stearoyl (octadecanoyl).
Last Modified10 October 2016
Submitterlaimo
DownloadsMolfile
FormulaC41H83N2O6P
Net Charge0
Average Mass731.097
Monoisotopic Mass730.59888
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b34-32+/t39-,40+/m0/s1
InChIKeyLKQLRGMMMAHREN-YJFXYUILSA-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-stearoylsphingosine-1-phosphocholine (CHEBI:83358) has functional parent octadecanoic acid (CHEBI:28842)
N-stearoylsphingosine-1-phosphocholine (CHEBI:83358) has role mouse metabolite (CHEBI:75771)
N-stearoylsphingosine-1-phosphocholine (CHEBI:83358) is a sphingomyelin 36:1 (CHEBI:72518)
N-stearoylsphingosine-1-phosphocholine (CHEBI:83358) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
N-octadecanoylsphingosine-1-phosphocholineSUBMITTER
sphingomyelin (d18:1/18:0)SUBMITTER
N-octadecanoylsphing-4-enine-1-phosphocholineChEBI
N-stearoylsphing-4-enine-1-phosphocholineChEBI
SM(d18:1/18:0)LIPID MAPS
C18 SphingomyelinLIPID MAPS
UniProt Name  Source
N-(octadecanoyl)-sphing-4-enine-1-phosphocholineUniProt
Manual XrefsDatabases
LMSP03010001LIPID MAPS
HMDB0001348HMDB
Registry NumbersSources
Reaxys:3641774Reaxys
CAS:58909-84-5ChemIDplus