CHEBI:83358 - N-stearoylsphingosine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-stearoylsphingosine-1-phosphocholine
ChEBI ID CHEBI:83358
ChEBI ASCII Name N-stearoylsphingosine-1-phosphocholine
Definition A sphingomyelin d18:1 in which the ceramide N-acyl group is specified as stearoyl (octadecanoyl).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information
Download Molfile XML SDF
Formula C41H83N2O6P
Net Charge 0
Average Mass 731.08130
Monoisotopic Mass 730.59888
InChI InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b34-32+/t39-,40+/m0/s1
InChIKey LKQLRGMMMAHREN-YJFXYUILSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-stearoylsphingosine-1-phosphocholine (CHEBI:83358) has functional parent octadecanoic acid (CHEBI:28842)
N-stearoylsphingosine-1-phosphocholine (CHEBI:83358) has role mouse metabolite (CHEBI:75771)
N-stearoylsphingosine-1-phosphocholine (CHEBI:83358) is a sphingomyelin 36:1 (CHEBI:72518)
N-stearoylsphingosine-1-phosphocholine (CHEBI:83358) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
(2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate IUPAC
2,3-(N-Steroylsphingosyl)-1-phosphocholine ChemIDplus
2,3-Sppc ChemIDplus
C18 Sphingomyelin LIPID MAPS
N-(octadecanoyl)-sphing-4-enine-1-phosphocholine UniProt
N-octadecanoylsphing-4-enine-1-phosphocholine ChEBI
N-octadecanoylsphingosine-1-phosphocholine SUBMITTER
N-stearoylsphing-4-enine-1-phosphocholine ChEBI
SM(d18:1/18:0) LIPID MAPS
sphingomyelin (d18:1/18:0) SUBMITTER
stearoyl sphingomyelin ChEBI
Manual Xrefs Databases
HMDB0001348 HMDB
LMSP03010001 LIPID MAPS
View more database links
Registry Numbers Types Sources
3641774 Reaxys Registry Number Reaxys
58909-84-5 CAS Registry Number ChemIDplus
Last Modified
10 October 2016