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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-[(10Z,13Z,16Z)-docosatrienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol
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Accession:CHEBI:89248 term browser browse the term
Definition:A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (10Z,13Z,16Z)-docosatrienoyl and hexadecanoyl respectively.
Synonyms:exact_synonym: (2R)-2-(hexadecanoyloxy)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl (10Z,13Z,16Z)-docosa-10,13,16-trienoate
 related_synonym: 1-(10Z,13Z,16Z-Docosatrienoyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol);   1-(10Z,13Z,16Z-Docosatrienoyl)-2-palmitoyl-sn-glycero-3-phosphoinositol;   1-[(10Z,13Z,16Z)-docosatrienoyl]-2-palmitoyl-sn-glycero-3-phospho-1D-myo-inositol;   Formula=C47H85O13P;   InChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,39,42-47,50-54H,3-10,12,14-16,19,22-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-/t39-,42-,43-,44+,45-,46-,47-/m1/s1;   InChIKey=MHKWHDPIKFAACP-SVKJOJBUSA-N;   PI(22:3(10Z,13Z,16Z)/16:0);   PI(22:3/16:0);   PI(22:3n6/16:0);   PI(22:3w6/16:0);   PI(38:3);   PIno(22:3/16:0);   PIno(22:3n6/16:0);   PIno(22:3w6/16:0);   PIno(38:3);   Phosphatidylinositol(22:3/16:0);   Phosphatidylinositol(22:3n6/16:0);   Phosphatidylinositol(22:3w6/16:0);   Phosphatidylinositol(38:3);   SMILES=C(CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(=O)CCCCCCCC/C=C\\C/C=C\\C/C=C\\CCCCC)=O)CCCCCCC;   [(2R)-3-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyloxy]-2-(hexadecanoyloxy)propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid
 xref: HMDB:HMDB0009907;   PMID:20671299


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  CHEBI ontology 19875
    role 19825
      biological role 19825
        biochemical role 19360
          metabolite 19341
            eukaryotic metabolite 18998
              plant metabolite 17475
                hexadecanoic acid 543
                  1-[(10Z,13Z,16Z)-docosatrienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol 0
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  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
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            nucleon 19873
              atomic nucleus 19873
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                  main group element atom 19763
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                        oxygen atom 19415
                          oxygen molecular entity 19415
                            hydroxides 19139
                              oxoacid 18273
                                pnictogen oxoacid 10308
                                  phosphorus oxoacid 9228
                                    phosphoric acids 7945
                                      phosphoric acid 7945
                                        phosphoric acid derivative 7624
                                          phosphate 7624
                                            organic phosphate 7623
                                              phospholipid 294
                                                glycerophospholipid 200
                                                  glycerophosphoinositol 19
                                                    phosphatidylinositol 19
                                                      1-phosphatidyl-1D-myo-inositol 0
                                                        1-[(10Z,13Z,16Z)-docosatrienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol 0
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