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CHEBI:83360 - N-lignoceroylsphingosine-1-phosphocholine

ChEBI IDCHEBI:83360
ChEBI NameN-lignoceroylsphingosine-1-phosphocholine
Stars
ASCII NameN-lignoceroylsphingosine-1-phosphocholine
DefinitionA sphingomyelin d18:1 in which the ceramide N-acyl group is specified as lignoceroyl (tetracosanoyl).
Secondary ChEBI IDCHEBI:85596
Last Modified23 October 2015
Submitterlaimo, namrata
DownloadsMolfile
FormulaC47H95N2O6P
Net Charge0
Average Mass815.259
Monoisotopic Mass814.69278
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h38,40,45-46,50H,6-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b40-38+/t45-,46+/m0/s1
InChIKeyQEDPUVGSSDPBMD-XTAIVQBESA-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-lignoceroylsphingosine-1-phosphocholine (CHEBI:83360) has functional parent tetracosanoic acid (CHEBI:28866)
N-lignoceroylsphingosine-1-phosphocholine (CHEBI:83360) has role mouse metabolite (CHEBI:75771)
N-lignoceroylsphingosine-1-phosphocholine (CHEBI:83360) is a sphingomyelin 42:1 (CHEBI:72533)
N-lignoceroylsphingosine-1-phosphocholine (CHEBI:83360) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(tetracosanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
(2S,3R,4E)-3-hydroxy-2-(tetracosanoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphateIUPAC
C24 SphingomyelinLIPID MAPS
N-lignoceroylsphing-4-enine-1-phosphocholineChEBI
N-tetracosanoylsphing-4-enine-1-phosphocholineChEBI
N-tetracosanoylsphingosine-1-phosphocholineSUBMITTER
SM(d18:1/24:0)LIPID MAPS
UniProt Name  Source
N-(tetracosanoyl)-sphing-4-enine-1-phosphocholineUniProt
Manual XrefsDatabases
HMDB0011697HMDB
LMSP03010008LIPID MAPS
Registry NumbersSources
Reaxys:6789055Reaxys