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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:pirinixic acid
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Accession:CHEBI:32509 term browser browse the term
Definition:An aryl sulfide that has formula C14H14ClN3O2S.
Synonyms:exact_synonym: ({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid
 related_synonym: ((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid;   (4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid;   Formula=C14H14ClN3O2S;   InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18);   InChIKey=SZRPDCCEHVWOJX-UHFFFAOYSA-N;   SMILES=Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C;   WY-14,643
 xref: CAS:50892-23-4;   KEGG:C15617;   LINCS:LSM-2015
 xref_mesh: MESH:C006253
 xref: Wikipedia:Pirinixic_Acid



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      CHEBI ontology 19659
        role 19634
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            food additive 15225
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                  pirinixic acid 7162
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      CHEBI ontology 19659
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                                organic group 18752
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                                    organodiyl group 18737
                                      carbonyl group 18704
                                        carbonyl compound 18738
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                                            monocarboxylic acid 17702
                                              acetic acid 10885
                                                pirinixic acid 7162
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