CHEBI:84495 - N-tetracosanoylsphinganine-1-phosphocholine

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ChEBI Name N-tetracosanoylsphinganine-1-phosphocholine
ChEBI ID CHEBI:84495
ChEBI ASCII Name N-tetracosanoylsphinganine-1-phosphocholine
Definition A N-acylsphinganine-1-phosphocholine in which the acyl group specified is tetracosanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C47H97N2O6P
Net Charge 0
Average Mass 817.25660
Monoisotopic Mass 816.70843
InChI InChI=1S/C47H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h45-46,50H,6-44H2,1-5H3,(H-,48,51,52,53)/t45-,46+/m0/s1
InChIKey SMJLGESYPKPRNU-CRCOQUFZSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC
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-tetracosanoylsphinganine-1-phosphocholine (CHEBI:84495) has functional parent tetracosanoic acid (CHEBI:28866)
N-tetracosanoylsphinganine-1-phosphocholine (CHEBI:84495) has role mouse metabolite (CHEBI:75771)
N-tetracosanoylsphinganine-1-phosphocholine (CHEBI:84495) is a N-acylsphinganine-1-phosphocholine (CHEBI:67090)
N-tetracosanoylsphinganine-1-phosphocholine (CHEBI:84495) is a sphingomyelin 42:0 (CHEBI:72532)
IUPAC Name
(2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadecyl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
N-(tetracosanoyl)-sphinganine-1-phosphocholine LIPID MAPS
SM(d18:0/24:0) LIPID MAPS
Sphingomyelin (d18:0/24:0) HMDB
Manual Xrefs Databases
HMDB0012094 HMDB
LMSP03010024 LIPID MAPS
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Last Modified
23 October 2015