CHEBI:84485 - N-nonadecanoylsphingosine-1-phosphocholine

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ChEBI Name N-nonadecanoylsphingosine-1-phosphocholine
ChEBI ID CHEBI:84485
ChEBI ASCII Name N-nonadecanoylsphingosine-1-phosphocholine
Definition A sphingomyelin d18:1 in whihc the acyl group specified is nonadecanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C42H85N2O6P
Net Charge 0
Average Mass 745.10790
Monoisotopic Mass 744.61453
InChI InChI=1S/C42H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-36-42(46)43-40(39-50-51(47,48)49-38-37-44(3,4)5)41(45)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h33,35,40-41,45H,6-32,34,36-39H2,1-5H3,(H-,43,46,47,48)/b35-33+/t40-,41+/m0/s1
InChIKey HAFQHLHNPJDAGB-MAJDXUCPSA-N
SMILES CCCCCCCCCCCCCCCCCCC(=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-nonadecanoylsphingosine-1-phosphocholine (CHEBI:84485) has functional parent nonadecanoic acid (CHEBI:39246)
N-nonadecanoylsphingosine-1-phosphocholine (CHEBI:84485) has role mouse metabolite (CHEBI:75771)
N-nonadecanoylsphingosine-1-phosphocholine (CHEBI:84485) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name
(2S,3R,4E)-3-hydroxy-2-(nonadecanoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
N-(nonadecanoyl)-sphing-4-enine-1-phosphocholine LIPID MAPS
SM(d18:1/19:0) LIPID MAPS
Manual Xref Database
LMSP03010055 LIPID MAPS
View more database links
Last Modified
24 February 2015