CHEBI:85022 - N-hexacosanoylsphinganine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-hexacosanoylsphinganine-1-phosphocholine
ChEBI ID CHEBI:85022
ChEBI ASCII Name N-hexacosanoylsphinganine-1-phosphocholine
Definition A sphingomyelin 44:0 in which the N-acyl group and sphingoid base are specified as hexacosanoyl and sphinganine respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C49H101N2O6P
Net Charge 0
Average Mass 845.30980
Monoisotopic Mass 844.73973
InChI InChI=1S/C49H101N2O6P/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/h47-48,52H,6-46H2,1-5H3,(H-,50,53,54,55)/t47-,48+/m0/s1
InChIKey JDLBFYGFHYCXMD-JYHRMSDVSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(=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-hexacosanoylsphinganine-1-phosphocholine (CHEBI:85022) has role mouse metabolite (CHEBI:75771)
N-hexacosanoylsphinganine-1-phosphocholine (CHEBI:85022) is a N-acylsphinganine-1-phosphocholine (CHEBI:67090)
N-hexacosanoylsphinganine-1-phosphocholine (CHEBI:85022) is a sphingomyelin 44:0 (CHEBI:72537)
IUPAC Name
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadecyl 2-(trimethylammonio)ethyl phosphate
Synonym Source
SM (d18:0/26:0) ChEBI
Last Modified
25 February 2015