CHEBI:83359 - N-icosanoylsphingosine-1-phosphocholine

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ChEBI Name N-icosanoylsphingosine-1-phosphocholine
ChEBI ID CHEBI:83359
ChEBI ASCII Name N-icosanoylsphingosine-1-phosphocholine
Definition A sphingomyelin d18:1 in which the ceramide N-acyl group is specified as icosanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C43H87N2O6P
Net Charge 0
Average Mass 759.13440
Monoisotopic Mass 758.63018
InChI InChI=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
InChIKey AADLTHQNYQJHQV-SVLGDMRNSA-N
SMILES CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC
Roles Classification
Biological Role(s): animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(2S,3R,4E)-3-hydroxy-2-(icosanoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate IUPAC
C20 Sphingomyelin LIPID MAPS
N-(eicosanoyl)-sphing-4-enine-1-phosphocholine UniProt
N-arachidoylsphing-4-enine-1-phosphocholine ChEBI
N-arachidoylsphingosine-1-phosphocholine ChEBI
N-eicosanoylsphing-4-enine-1-phosphocholine ChEBI
N-eicosanoylsphingosine-1-phosphocholine SUBMITTER
N-icosanoylsphing-4-enine-1-phosphocholine ChEBI
SM(d18:1/20:0) LIPID MAPS
sphingomyelin (d18:1/20:0) SUBMITTER
Manual Xrefs Databases
HMDB0012102 HMDB
LMSP03010005 LIPID MAPS
View more database links
Registry Number Type Source
25968936 Reaxys Registry Number Reaxys
Last Modified
23 October 2015