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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:1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
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Accession:CHEBI:84538 term browser browse the term
Definition:A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which both the acyl groups specified is (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl.
Synonyms:exact_synonym: (2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
 related_synonym: Formula=C49H74NO8P;   GPEtn(22:6/22:6);   GPEtn(22:6n3/22:6n3);   GPEtn(22:6w3/22:6w3);   InChI=1S/C49H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,47H,3-4,9-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-/m1/s1;   InChIKey=RBDNSJMXMWTPCS-NYUVKXDYSA-N;   PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z));   PE(22:6/22:6);   PE(22:6n3/22:6n3);   PE(22:6w3/22:6w3);   Phophatidylethanolamine(22:6/22:6);   Phophatidylethanolamine(22:6n3/22:6n3);   Phophatidylethanolamine(22:6w3/22:6w3);   SMILES=CC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CC
 xref: CAS:123284-81-1;   HMDB:HMDB0009705;   LIPID_MAPS_instance:LMGP02010093;   Reaxys:10638042


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Term Annotations click to browse term
  CHEBI ontology 19893
    role 19863
      application 19707
        pharmaceutical 19542
          drug 19542
            antineoplastic agent 17826
              all-cis-docosa-4,7,10,13,16,19-hexaenoic acid 18
                1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      chalcogen 19581
                        oxygen atom 19553
                          oxygen molecular entity 19553
                            hydroxides 19358
                              oxoacid 18794
                                pnictogen oxoacid 14989
                                  phosphorus oxoacid 14588
                                    phosphoric acids 13933
                                      phosphoric acid 13933
                                        phosphoric acid derivative 13843
                                          phosphate 13842
                                            organic phosphate 13842
                                              phospholipid 322
                                                glycerophospholipid 218
                                                  glycerophosphoethanolamine 15
                                                    phosphatidylethanolamine 7
                                                      1,2-diacyl-sn-glycero-3-phosphoethanolamine 0
                                                        1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 0
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