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CHEBI:85017 - N-tricosanoylsphinganine-1-phosphocholine

ChEBI IDCHEBI:85017
ChEBI NameN-tricosanoylsphinganine-1-phosphocholine
Stars
ASCII NameN-tricosanoylsphinganine-1-phosphocholine
DefinitionA N-acylsphinganine-1-phosphocholine in which the acyl group specified is tricosanoyl.
Last Modified25 February 2015
Submitternamrata
DownloadsMolfile
FormulaC46H95N2O6P
Net Charge0
Average Mass803.248
Monoisotopic Mass802.69278
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C46H95N2O6P/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/h44-45,49H,6-43H2,1-5H3,(H-,47,50,51,52)/t44-,45+/m0/s1
InChIKeyCRPAVAKPGRALOU-YWPUXERESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-tricosanoylsphinganine-1-phosphocholine (CHEBI:85017) has functional parent tricosanoic acid (CHEBI:42394)
N-tricosanoylsphinganine-1-phosphocholine (CHEBI:85017) has role mouse metabolite (CHEBI:75771)
N-tricosanoylsphinganine-1-phosphocholine (CHEBI:85017) is a N-acylsphinganine-1-phosphocholine (CHEBI:67090)
IUPAC Name 
(2S,3R)-3-hydroxy-2-(tricosanoylamino)octadecyl 2-(trimethylammonio)ethyl phosphate
Synonym  Source
SM (d18:0/23:0)ChEBI
Manual XrefsDatabases
HMDB0012093HMDB