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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 19883
    role 19833
      biological role 19833
        biochemical role 19370
          metabolite 19350
            eukaryotic metabolite 19008
              plant metabolite 17478
                hexadecanoic acid 544
                  1-[(10Z,13Z,16Z)-docosatrienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol 0
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  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
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            nucleon 19881
              atomic nucleus 19881
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                        oxygen atom 19425
                          oxygen molecular entity 19425
                            hydroxides 19147
                              oxoacid 18286
                                pnictogen oxoacid 10306
                                  phosphorus oxoacid 9226
                                    phosphoric acids 7943
                                      phosphoric acid 7943
                                        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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