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CHEBI:125205 - N-tetracosanoyl-14-methylhexadecasphinganine-1-phosphocholine

ChEBI IDCHEBI:125205
ChEBI NameN-tetracosanoyl-14-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-tetracosanoyl-14-methylhexadecasphinganine-1-phosphocholine
DefinitionA sphingomyelin obtained by formal condensation of the carboxy group of tetracosanoic acid with the amino group of 14-methylhexadecasphinganine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified14 April 2016
DownloadsMolfile
FormulaC46H95N2O6P
Net Charge0
Average Mass803.248
Monoisotopic Mass802.69278
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCC(C)CC
InChIInChI=1S/C46H95N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-33-36-39-46(50)47-44(42-54-55(51,52)53-41-40-48(4,5)6)45(49)38-35-32-29-27-26-28-31-34-37-43(3)8-2/h43-45,49H,7-42H2,1-6H3,(H-,47,50,51,52)/t43?,44-,45+/m0/s1
InChIKeySDZXQUCJSHKTQH-MPJXAXDGSA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (23894595)
Roles Classification
Biological Role:
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
ChEBI Ontology
Outgoing Relation(s)
N-tetracosanoyl-14-methylhexadecasphinganine-1-phosphocholine (CHEBI:125205) has functional parent tetracosanoic acid (CHEBI:28866)
N-tetracosanoyl-14-methylhexadecasphinganine-1-phosphocholine (CHEBI:125205) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-tetracosanoyl-14-methylhexadecasphinganine-1-phosphocholine (CHEBI:125205) is a sphingomyelin (CHEBI:64583)
IUPAC Name 
(2S,3R)-3-hydroxy-14-methyl-2-(tetracosanoylamino)hexadecyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
SM(d17:0;3/24:0)ChEBI
SM 41:0;3/24:0ChEBI
N-tetracosanoyl-14-methylhexadecadihydrosphingosine-1-phosphocholineChEBI
Citations