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CHEBI:119487 - N-tetracosanoyl-14-methylhexadecasphingosine-1-phosphocholine

ChEBI IDCHEBI:119487
ChEBI NameN-tetracosanoyl-14-methylhexadecasphingosine-1-phosphocholine
Stars
ASCII NameN-tetracosanoyl-14-methylhexadecasphingosine-1-phosphocholine
DefinitionA sphingomyelin 41:1 obtained by formal condensation of the carboxy group of tetracosanoic acid with the amino group of 14-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified14 April 2016
DownloadsMolfile
FormulaC46H93N2O6P
Net Charge0
Average Mass801.232
Monoisotopic Mass800.67713
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCC(C)CC
InChIInChI=1S/C46H93N2O6P/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/h35,38,43-45,49H,7-34,36-37,39-42H2,1-6H3,(H-,47,50,51,52)/b38-35+/t43?,44-,45+/m0/s1
InChIKeyYQDKJMVUTQYUPY-SGZVBGDUSA-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-methylhexadecasphingosine-1-phosphocholine (CHEBI:119487) has functional parent 14-methylhexadecasphingosine (CHEBI:83988)
N-tetracosanoyl-14-methylhexadecasphingosine-1-phosphocholine (CHEBI:119487) has functional parent tetracosanoic acid (CHEBI:28866)
N-tetracosanoyl-14-methylhexadecasphingosine-1-phosphocholine (CHEBI:119487) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-tetracosanoyl-14-methylhexadecasphingosine-1-phosphocholine (CHEBI:119487) is a sphingomyelin 41:1 (CHEBI:83893)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-14-methyl-2-(tetracosanoylamino)hexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
N-tetracosanoyl-14-methylhexadecasphing-4-enine-1-phosphocholineChEBI
SM 41:1;3ChEBI
SM (d17:1;3/24:0)ChEBI
Citations