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CHEBI:83361 - N-hexacosanoylsphingosine-1-phosphocholine

ChEBI IDCHEBI:83361
ChEBI NameN-hexacosanoylsphingosine-1-phosphocholine
Stars
ASCII NameN-hexacosanoylsphingosine-1-phosphocholine
DefinitionA sphingomyelin d18:1 in which the ceramide N-acyl group is specified as hexacosanoyl.
Secondary ChEBI IDCHEBI:84478
Last Modified23 October 2015
Submitterlaimo, namrata
DownloadsMolfile
FormulaC49H99N2O6P
Net Charge0
Average Mass843.313
Monoisotopic Mass842.72408
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C49H99N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h40,42,47-48,52H,6-39,41,43-46H2,1-5H3,(H-,50,53,54,55)/b42-40+/t47-,48+/m0/s1
InChIKeyVRAWSAPVSSLIRI-MVUJCARGSA-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-hexacosanoylsphingosine-1-phosphocholine (CHEBI:83361) has functional parent hexacosanoic acid (CHEBI:31009)
N-hexacosanoylsphingosine-1-phosphocholine (CHEBI:83361) has role mouse metabolite (CHEBI:75771)
N-hexacosanoylsphingosine-1-phosphocholine (CHEBI:83361) is a sphingomyelin 44:1 (CHEBI:72538)
N-hexacosanoylsphingosine-1-phosphocholine (CHEBI:83361) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name 
(2S,3R,4E)-2-(hexacosanoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
N-cerotoylsphingosine-1-phosphocholineSUBMITTER
sphingomyelin (d18:1/26:0)SUBMITTER
N-cerotoylsphing-4-enine-1-phosphocholineChEBI
SM(d18:1/26:0)LIPID MAPS
(2S,3R,4E)-2-(hexacosanoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphateIUPAC
C26 SphingomyelinLIPID MAPS
UniProt Name  Source
N-hexacosanoylsphing-4-enine-1-phosphocholineUniProt
Manual XrefsDatabases
LMSP03010010LIPID MAPS
HMDB0011698HMDB
LMSP03010010LIPID MAPS