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CHEBI:83880 - N-tricosanoylsphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:83880
ChEBI NameN-tricosanoylsphing-4-enine-1-phosphocholine
Stars
ASCII NameN-tricosanoylsphing-4-enine-1-phosphocholine
DefinitionA sphingomyelin 41:1 in which the N-acyl group and sphingoid base are specified as tricosanoyl and sphingosine respectively.
Last Modified12 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC46H93N2O6P
Net Charge0
Average Mass801.232
Monoisotopic Mass800.67713
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h37,39,44-45,49H,6-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b39-37+/t44-,45+/m0/s1
InChIKeySXZWBNWTCVLZJN-NMIJJABPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
ceramide allergen  Any ceramide which causes the onset of an allergic reaction.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-tricosanoylsphing-4-enine-1-phosphocholine (CHEBI:83880) has functional parent tricosanoic acid (CHEBI:42394)
N-tricosanoylsphing-4-enine-1-phosphocholine (CHEBI:83880) has role ceramide allergen (CHEBI:143252)
N-tricosanoylsphing-4-enine-1-phosphocholine (CHEBI:83880) has role mouse metabolite (CHEBI:75771)
N-tricosanoylsphing-4-enine-1-phosphocholine (CHEBI:83880) is a sphingomyelin 41:1 (CHEBI:83893)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(tricosanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
N-(Tricosanoyl)-sphing-4-enine-1-phosphocholineHMDB
C23 SphingomyelinHMDB
SM(d18:1/23:0)LIPID MAPS
Milk SMChEBI
Sphingomyelin (Milk, Bovine)ChEBI
sphingomyelin-milkChEBI
Manual XrefsDatabases
LMSP03010078LIPID MAPS
HMDB0012105HMDB
Registry NumbersSources
CAS:475662-40-9PubChem Compound
Citations