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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:N-henicosanoyl-14-methylhexadecasphingosine-1-phosphocholine
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Accession:CHEBI:119470 term browser browse the term
Definition:A sphingomyelin 38:1 obtained by formal condensation of the carboxy group of henicosanoic acid with the amino group of 14-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans.
Synonyms:exact_synonym: (2S,3R,4E)-2-(henicosanoylamino)-3-hydroxy-14-methylhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
 related_synonym: Formula=C43H87N2O6P;   InChI=1S/C43H87N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-33-36-43(47)44-41(39-51-52(48,49)50-38-37-45(4,5)6)42(46)35-32-29-26-24-23-25-28-31-34-40(3)8-2/h32,35,40-42,46H,7-31,33-34,36-39H2,1-6H3,(H-,44,47,48,49)/b35-32+/t40?,41-,42+/m0/s1;   InChIKey=UUTLYHFNYZWXDD-UODHHMPYSA-N;   N-henicosanoyl-14-methylhexadecasphing-4-enine-1-phosphocholine;   SM (d17:1;3/21:0);   SM 38:1;3;   SMILES=C(CCCCCC(CC)C)CC\\C=C\\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-]
 xref: PMID:23894595


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            eukaryotic metabolite 0
              animal metabolite 0
                nematode metabolite 0
                  Caenorhabditis elegans metabolite 0
                    N-henicosanoyl-14-methylhexadecasphingosine-1-phosphocholine 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                pnictogen oxoacid 0
                                  phosphorus oxoacid 0
                                    phosphoric acids 0
                                      phosphoric acid 0
                                        phosphoric acid derivative 0
                                          phosphate 0
                                            organic phosphate 0
                                              phospholipid 0
                                                phosphosphingolipid 0
                                                  sphingomyelin 0
                                                    sphingomyelin 38:1 0
                                                      N-henicosanoyl-14-methylhexadecasphingosine-1-phosphocholine 0
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