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

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ChEBI Name N-tricosanoylsphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:83880
ChEBI ASCII Name N-tricosanoylsphing-4-enine-1-phosphocholine
Definition A sphingomyelin 41:1 in which the N-acyl group and sphingoid base are specified as tricosanoyl and sphingosine respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C46H93N2O6P
Net Charge 0
Average Mass 801.21420
Monoisotopic Mass 800.67713
InChI InChI=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
InChIKey SXZWBNWTCVLZJN-NMIJJABPSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCC(=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): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
C23 Sphingomyelin HMDB
Milk SM ChEBI
milk sphingomyelin ChEBI
N-(Tricosanoyl)-sphing-4-enine-1-phosphocholine HMDB
SM(d18:1/23:0) LIPID MAPS
Sphingomyelin (Milk, Bovine) ChEBI
sphingomyelin-milk ChEBI
Manual Xrefs Databases
HMDB0012105 HMDB
LMSP03010078 LIPID MAPS
View more database links
Registry Number Type Source
475662-40-9 CAS Registry Number PubChem
Citations Waiting for Citations Types Sources
15465755 PubMed citation Europe PMC
21458849 PubMed citation Europe PMC
Last Modified
12 March 2019