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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:CDP-1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol
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Accession:CHEBI:85846 term browser browse the term
Definition:A CDP-diacylglycerol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.
Synonyms:exact_synonym: 5'-O-[({[(2R)-2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy}-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine
 related_synonym: 1-Octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-CDP;   1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-cytidine-5'-diphosphate;   CDP-1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol;   CDP-1-stearoyl-2-docosahexaenoyl-sn-glycerol;   CDP-DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z));   CDP-DG(18:0/22:6);   CDP-DG(18:0/22:6n3);   CDP-DG(18:0/22:6w3);   CDP-DG(40:6);   CDP-Diacylglycerol(18:0/22:6);   CDP-Diacylglycerol(18:0/22:6n3);   CDP-Diacylglycerol(18:0/22:6w3);   CDP-Diacylglycerol(40:6);   Formula=C52H85N3O15P2;   InChI=1S/C52H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h5,7,11,13,17,19,21-22,26,28,32,34,39-40,44-45,49-51,58-59H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t44-,45-,49-,50-,51-/m1/s1;   InChIKey=RNRRBCONAMXMKQ-KQXXVMTCSA-N;   SMILES=CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)OC(=O)CC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CC
 xref: HMDB:HMDB0006985
 cyclic_relationship: is_conjugate_acid_of CHEBI:85354


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  CHEBI ontology 26447
    role 26279
      application 25536
        pharmaceutical 24955
          drug 24952
            antineoplastic agent 21331
              all-cis-docosa-4,7,10,13,16,19-hexaenoic acid 18
                CDP-1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26447
    subatomic particle 26423
      composite particle 26423
        hadron 26423
          baryon 26423
            nucleon 26423
              atomic nucleus 26423
                atom 26423
                  main group element atom 26169
                    p-block element atom 26169
                      chalcogen 25079
                        oxygen atom 24884
                          oxygen molecular entity 24884
                            hydroxides 24116
                              oxoacid 23055
                                pnictogen oxoacid 15813
                                  phosphorus oxoacid 15298
                                    phosphoric acids 14687
                                      phosphoric acid 14687
                                        phosphoric acid derivative 14590
                                          phosphate 14589
                                            organic phosphate 14589
                                              nucleoside phosphate 1907
                                                nucleotide 1904
                                                  nucleotide derivative 50
                                                    nucleotide conjugate 20
                                                      nucleotide-carbohydrate 18
                                                        nucleotide-alditol 0
                                                          CDP-glycerol 0
                                                            CDP-glycerols 0
                                                              CDP-diacylglycerol 0
                                                                CDP-1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol 0
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