CHEBI:83358 - N-stearoylsphingosine-1-phosphocholine

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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 Lucila Aimo Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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