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N-icosanoylsphingosine-1-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_83359

A sphingomyelin d18:1 in which the ceramide N-acyl group is specified as icosanoyl.

Term info

Label

N-icosanoylsphingosine-1-phosphocholine

Synonyms
  • (2S,3R,4E)-3-hydroxy-2-(icosanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S,3R,4E)-3-hydroxy-2-(icosanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C43H87N2O6P

has obo namespace

chebi_ontology

has related synonym

N-eicosanoylsphing-4-enine-1-phosphocholine, (2S,3R,4E)-3-hydroxy-2-(icosanoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate, sphingomyelin (d18:1/20:0), N-icosanoylsphing-4-enine-1-phosphocholine, N-arachidoylsphing-4-enine-1-phosphocholine, C20 Sphingomyelin, SM(d18:1/20:0), N-(eicosanoyl)-sphing-4-enine-1-phosphocholine, N-eicosanoylsphingosine-1-phosphocholine, N-arachidoylsphingosine-1-phosphocholine

id

CHEBI:83359

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

mass

759.13440

monoisotopicmass

758.63018

smiles

CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC