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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:phthalate(2-)
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Accession:CHEBI:17563 term browser browse the term
Definition:A phthalate that is the dianion obtained by the deprotonation of both the carboxy groups of phthalic acid.
Synonyms:exact_synonym: benzene-1,2-dicarboxylate
 related_synonym: 1,2-benzenedicarboxylate;   Formula=C8H4O4;   InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2;   InChIKey=XNGIFLGASWRNHJ-UHFFFAOYSA-L;   SMILES=[O-]C(=O)c1ccccc1C([O-])=O;   phthalate
 alt_id: CHEBI:14831;   CHEBI:26090
 xref: Beilstein:3906509;   CAS:3198-29-6;   Gmelin:3530;   KEGG:C01606;   Reaxys:3906509;   UM-BBD_compID:c0181
 cyclic_relationship: is_conjugate_base_of CHEBI:30800


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5082
    role 5047
      biological role 5047
        biochemical role 4967
          metabolite 4955
            xenobiotic metabolite 179
              human xenobiotic metabolite 142
                phthalate(2-) 0
                  3,4-dihydroxyphthalate(2-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5082
    subatomic particle 5073
      composite particle 5073
        hadron 5073
          baryon 5073
            nucleon 5073
              atomic nucleus 5073
                atom 5073
                  main group element atom 5043
                    p-block element atom 5040
                      carbon group element atom 4958
                        carbon atom 4957
                          organic molecular entity 4957
                            organic molecule 4904
                              organic cyclic compound 4842
                                carbocyclic compound 251
                                  benzenoid aromatic compound 224
                                    benzenes 216
                                      phthalate 0
                                        phthalate(2-) 0
                                          3,4-dihydroxyphthalate(2-) 0
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