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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:presqualene diphosphate
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Accession:CHEBI:15442 term browser browse the term
Definition:A triterpenyl phosphate that is presqualene in which the hydroxy hydrogen has been replaced by a diphosphate group.
Synonyms:exact_synonym: {(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropan-1-yl}methyl trihydrogen diphosphate
 related_synonym: Formula=C30H52O7P2;   InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1;   InChIKey=ATZKAUGGNMSCCY-VYCBRMPGSA-N;   SMILES=[H][C@]1(COP(O)(=O)OP(O)(O)=O)[C@]([H])(\\C=C(/C)CC\\C=C(/C)CCC=C(C)C)[C@]1(C)CC\\C=C(/C)CCC=C(C)C;   [(1S,2S,3S)-2-[(E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-yl]methyl diphosphate
 alt_id: CHEBI:14886;   CHEBI:26261;   CHEBI:8401
 xref: KEGG:C03428
 cyclic_relationship: is_conjugate_acid_of CHEBI:57310


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  CHEBI ontology 19893
    chemical entity 19891
      atom 19891
        nonmetal atom 19814
          carbon atom 19767
            organic molecular entity 19767
              isoprenoid 14081
                terpenoid 13781
                  triterpenoid 1227
                    presqualene diphosphate 0
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  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
                                                isoprenoid phosphate 75
                                                  terpenyl phosphate 66
                                                    triterpenyl phosphate 0
                                                      presqualene diphosphate 0
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