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CHEBI:117048 - N-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine

ChEBI IDCHEBI:117048
ChEBI NameN-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine
DefinitionA sphingomyelin obtained by formal condensation of the carboxy group of hexacosanoic acid with the amino group of 14-methylhexadecasphinganine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified14 April 2016
DownloadsMolfile
FormulaC48H99N2O6P
Net Charge0
Average Mass831.302
Monoisotopic Mass830.72408
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCC(C)CC
InChIInChI=1S/C48H99N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-35-38-41-48(52)49-46(44-56-57(53,54)55-43-42-50(4,5)6)47(51)40-37-34-31-29-28-30-33-36-39-45(3)8-2/h45-47,51H,7-44H2,1-6H3,(H-,49,52,53,54)/t45?,46-,47+/m0/s1
InChIKeyURKGNSIZAASXFK-MKISUTETSA-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-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine (CHEBI:117048) has functional parent hexacosanoic acid (CHEBI:31009)
N-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine (CHEBI:117048) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine (CHEBI:117048) is a sphingomyelin (CHEBI:64583)
IUPAC Name 
(2S,3R)-2-(hexacosanoylamino)-3-hydroxy-14-methylhexadecyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
SM 43:0;3ChEBI
N-hexacosanoyl-14-methylhexadecadihydrosphingosine-1-phosphocholineChEBI
SM (d17:0;3/26:0)ChEBI
Citations