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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 21569
    role 21548
      biological role 21546
        biochemical role 20712
          metabolite 20663
            eukaryotic metabolite 20518
              plant metabolite 18565
                hexadecanoic acid 549
                  1-[(10Z,13Z,16Z)-docosatrienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol 0
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    subatomic particle 21555
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                            hydroxides 20142
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                                pnictogen oxoacid 10408
                                  phosphorus oxoacid 9271
                                    phosphoric acids 8003
                                      phosphoric acid 8003
                                        phosphoric acid derivative 7668
                                          phosphate 7668
                                            organic phosphate 7667
                                              phospholipid 302
                                                glycerophospholipid 208
                                                  glycerophosphoinositol 20
                                                    phosphatidylinositol 20
                                                      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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