CHEBI:83361 - N-hexacosanoylsphingosine-1-phosphocholine

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ChEBI Name N-hexacosanoylsphingosine-1-phosphocholine
ChEBI ID CHEBI:83361
ChEBI ASCII Name N-hexacosanoylsphingosine-1-phosphocholine
Definition A sphingomyelin d18:1 in which the ceramide N-acyl group is specified as hexacosanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Secondary ChEBI IDs CHEBI:84478
Supplier Information
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Formula C49H99N2O6P
Net Charge 0
Average Mass 843.29390
Monoisotopic Mass 842.72408
InChI InChI=1S/C49H99N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h40,42,47-48,52H,6-39,41,43-46H2,1-5H3,(H-,50,53,54,55)/b42-40+/t47-,48+/m0/s1
InChIKey VRAWSAPVSSLIRI-MVUJCARGSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(=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-hexacosanoylsphingosine-1-phosphocholine (CHEBI:83361) has functional parent hexacosanoic acid (CHEBI:31009)
N-hexacosanoylsphingosine-1-phosphocholine (CHEBI:83361) has role mouse metabolite (CHEBI:75771)
N-hexacosanoylsphingosine-1-phosphocholine (CHEBI:83361) is a sphingomyelin 44:1 (CHEBI:72538)
N-hexacosanoylsphingosine-1-phosphocholine (CHEBI:83361) is a sphingomyelin d18:1 (CHEBI:17636)
IUPAC Name
(2S,3R,4E)-2-(hexacosanoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
(2S,3R,4E)-2-(hexacosanoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate IUPAC
C26 Sphingomyelin LIPID MAPS
N-(hexacosanoyl)-sphing-4-enine-1-phosphocholine LIPID MAPS
N-cerotoylsphing-4-enine-1-phosphocholine ChEBI
N-cerotoylsphingosine-1-phosphocholine SUBMITTER
N-hexacosanoylsphing-4-enine-1-phosphocholine UniProt
SM(d18:1/26:0) LIPID MAPS
sphingomyelin (d18:1/26:0) SUBMITTER
Manual Xrefs Databases
HMDB0011698 HMDB
LMSP03010010 LIPID MAPS
LMSP03010010 LIPID MAPS
View more database links
Last Modified
23 October 2015