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CHEBI:83359 - N-icosanoylsphingosine-1-phosphocholine

ChEBI IDCHEBI:83359
ChEBI NameN-icosanoylsphingosine-1-phosphocholine
Stars
ASCII NameN-icosanoylsphingosine-1-phosphocholine
DefinitionA sphingomyelin d18:1 in which the ceramide N-acyl group is specified as icosanoyl.
Last Modified23 October 2015
Submitterlaimo
DownloadsMolfile
FormulaC43H87N2O6P
Net Charge0
Average Mass759.151
Monoisotopic Mass758.63018
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H87N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h34,36,41-42,46H,6-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b36-34+/t41-,42+/m0/s1
InChIKeyAADLTHQNYQJHQV-SVLGDMRNSA-N
Roles Classification
Biological Role:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
N-icosanoylsphingosine-1-phosphocholine (CHEBI:83359) has functional parent icosanoic acid (CHEBI:28822)
N-icosanoylsphingosine-1-phosphocholine (CHEBI:83359) has role animal metabolite (CHEBI:75767)
N-icosanoylsphingosine-1-phosphocholine (CHEBI:83359) is a sphingomyelin 38:1 (CHEBI:72523)
N-icosanoylsphingosine-1-phosphocholine (CHEBI:83359) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(icosanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
N-eicosanoylsphingosine-1-phosphocholineSUBMITTER
sphingomyelin (d18:1/20:0)SUBMITTER
N-arachidoylsphingosine-1-phosphocholineChEBI
N-icosanoylsphing-4-enine-1-phosphocholineChEBI
N-eicosanoylsphing-4-enine-1-phosphocholineChEBI
N-arachidoylsphing-4-enine-1-phosphocholineChEBI
UniProt Name  Source
N-(eicosanoyl)-sphing-4-enine-1-phosphocholineUniProt
Manual XrefsDatabases
LMSP03010005LIPID MAPS
HMDB0012102HMDB
Registry NumbersSources
Reaxys:25968936Reaxys