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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:gypsogenate(2-)
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Accession:CHEBI:140468 term browser browse the term
Definition:A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of gypsogenic acid; major species at pH 7.3.
Synonyms:exact_synonym: 3beta-hydroxyolean-12-ene-23,28-dioate
 related_synonym: (3beta)-3-hydroxyolean-12-ene-23,28-dioate;   Formula=C30H44O5;   InChI=1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/p-2/t19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1;   InChIKey=PAIBKVQNJKUVCE-JUENUIDLSA-L;   SMILES=O=C([O-])[C@@]12CC[C@]3([C@@]4(CC[C@]5([C@]([C@H](CC[C@@]5([C@]4(CC=C3[C@@]1(CC(C)(C)CC2)[H])[H])C)O)(C)C([O-])=O)[H])C)C;   gypsogenate
 xref: MetaCyc:CPD-9474
 cyclic_relationship: is_conjugate_base_of CHEBI:71531



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  CHEBI ontology 19874
    chemical entity 19872
      atom 19872
        nonmetal atom 19794
          carbon atom 19748
            organic molecular entity 19748
              isoprenoid 14063
                gypsogenate(2-) 0
Path 2
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  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            organic ion 11443
                              organic anion 6849
                                carboxylic acid anion 2494
                                  dicarboxylic acid anion 252
                                    dicarboxylic acid dianion 252
                                      gypsogenate(2-) 0
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